6-Chloro-1H-pyrrolo[2,3-B]pyridine-2-carboxylic acid methyl ester

C₉H₇ClN₂O₂CAS 1140512-58-8210.62 g/mol

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Aryl halide Ester

Properties

Molecular formula: C₉H₇ClN₂O₂
Molar mass: 210.62 g/mol
Exact mass: 210.0196 Da
logP: 2.00Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

1140512-58-8

SMILES

COC(=O)C1=CC2=C(N1)N=C(C=C2)Cl

InChIKey

ZJVSMPDCALHZOG-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-5-2-3-7(10)12-8(5)11-6/h2-4H,1H3,(H,11,12)

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Names and synonyms

1 names

Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Work with 6-Chloro-1H-pyrrolo[2,3-B]pyridine-2-carboxylic acid methyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 1H-indole-2-carboxylate1202-04-650 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-250 % similar Methyl 2,6-dichloroisonicotinate42521-09-548 % similar Methyl 2-chloroisonicotinate58481-11-143 % similar Methyl 7-azaindole-6-carboxylate1256825-86-143 % similar Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-542 % similar Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-242 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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