Chem Methyl 2 Bromopyridine 4 Carboxylate Ncc

Compound 89
  CheckMol                        TMF02:r0:m0
MF=C7H6BrNO2 MW=216.03
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058    0.7529   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3176    2.2587   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6116    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6234    3.0116   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9174    0.7764   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9292    2.2705   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2232    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2350   -1.4352   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5290    0.8000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8348    0.0706   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

Methyl 2-bromopyridine-4-carboxylate

₹ 0.00 0.00

Chemical Name - Methyl 2-bromopyridine-4-carboxylate
Mol Weight - 216.034
Smiles - COC(c1cc(Br)ncc1)=O
InChI - MULLTHQTADMZDM-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3

Property Name	Property Value
Mol Name	Methyl 2-bromopyridine-4-carboxylate
Molweight	216.034
Monoisotopic Mass	214.95819
Clogp	1.3943
Clogs	-1.559
H Acceptors	3
Total Surface Area	130.66
Relative Psa	0.26029
Polar Surface Area	39.19
Druglikeness	-5.4723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.39443
Molecular Complexity	0.7167
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Aromatic Nitrogens	1
Smiles	COC(c1cc(Br)ncc1)=O
InChIKey	InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChI	MULLTHQTADMZDM-UHFFFAOYSA-N

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Methyl 2-bromopyridine-4-carboxylate