Chem 22 Bipyridine 4 Carbaldehyde Dsrpl

Compound 273
  CheckMol                        TMF02:r0:m0
MF=C11H8N2O MW=184.20
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936    0.7595   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8807    0.7833   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5753   -1.4835   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1743    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8688   -2.2192   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1624   -1.4597   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.4679    0.7951   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7614    0.0475   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.4560    2.3142   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0550    0.8070   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7496    3.0737   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0431    2.3261   -0.0000 C   0 00  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
  7  8 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

2,2-bipyridine-4-carbaldehyde

₹ 0.00 0.00

Chemical Name - 2,2-bipyridine-4-carbaldehyde
Mol Weight - 184.198
Smiles - O=Cc1cc(-c2ncccc2)ncc1

Property Name	Property Value
Mol Name	2,2-bipyridine-4-carbaldehyde
Molweight	184.198
Monoisotopic Mass	184.063663
Clogp	1.4323
Clogs	-1.82
H Acceptors	3
Total Surface Area	150.08
Relative Psa	0.23308
Polar Surface Area	42.85
Druglikeness	-3.8813
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.39661
Molecular Complexity	0.67279
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Aromatic Nitrogens	2
Smiles	O=Cc1cc(-c2ncccc2)ncc1
InChIKey	InChI=1S/C11H8N2O/c14-8-9-4-6-13-11(7-9)10-3-1-2-5-12-10/h1-8H
InChI	YSZFRHYUHKSZTO-UHFFFAOYSA-N

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2,2-bipyridine-4-carbaldehyde