Chem 2 4 Formylpyridin 2 Ylpyridine 4 Carbaldehyde Dsrpl

Compound 324
  CheckMol                        TMF02:r0:m0
MF=C12H8N2O2 MW=212.21
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052    0.7525   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9156    0.7878   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6221   -1.4581   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.0588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9273   -2.1871   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2325   -1.4228   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5260    0.8231   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5377    2.3282   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8312    0.0941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8429    3.0925   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1363    0.8584   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1481    2.3635   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4415    0.1176   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4533   -1.3640   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  9 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
  7  8 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde

₹ 0.00 0.00

Chemical Name - 2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde
Mol Weight - 212.208
Smiles - O=Cc1cc(-c2nccc(C=O)c2)ncc1

Property Name	Property Value
Mol Name	2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde
Molweight	212.208
Monoisotopic Mass	212.058578
Clogp	1.3656
Clogs	-2.144
H Acceptors	4
Total Surface Area	169.62
Relative Psa	0.2831
Polar Surface Area	59.92
Druglikeness	-3.8813
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.625
Molecular Flexibility	0.44954
Molecular Complexity	0.71956
Fragments	1
Non H Atoms	16
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	8
Aromatic Nitrogens	2
Smiles	O=Cc1cc(-c2nccc(C=O)c2)ncc1
InChIKey	InChI=1S/C12H8N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-8H
InChI	UJCACAOPZBJKIW-UHFFFAOYSA-N

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1 - 2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde
2 - 2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde

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2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde