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

C9H7ClN2O2CAS 1140512-58-8210.62 g/mol

Open in Covalent MOL file
OONHNCl
Aryl halideEster

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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-pyrrolo(2,3-b)pyridine-2-carboxylate394223-02-059 % similar Methyl 1H-indole-2-carboxylate1202-04-650 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-250 % similar Methyl 6-methoxy-1H-indole-2-carboxylate98081-83-549 % similar Methyl 6-chloropicolinate6636-55-149 % similar Methyl 2,6-dichloroisonicotinate42521-09-548 % similar Ethyl 6-bromo-1H-pyrrolo[2,3-B]pyridine-2-carboxylate577711-94-547 % similar Methyl 6-chloropyridazine-3-carboxylate65202-50-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook