Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

HCID 53413062CAS 1190312-37-8

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Basic information

Standard SMILES: COC(=O)c1cc(Cl)nc2[nH]ccc12
InChIKey: FNKIBYKKYBUANQ-UHFFFAOYSA-N
Molecular formula: C9H7ClN2O2
Average molar mass: 210.62 g/mol
Monoisotopic mass: 210.01960514

Names & identifiers

Preferred name: Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
IUPAC: methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
English name: 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro-, Methyl ester
Molecular formula: C9H7ClN2O2
Molecular weight: 210.62

Names & synonyms

1190312-37-8Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro-, methyl esterMFCD129627376-CHLORO-7-AZAINDOLE-4-CARBOXYLIC ACID METHYL ESTER6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid methyl esterSCHEMBL2158555Methyl6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylateSCHEMBL31347077DTXSID50696659FNKIBYKKYBUANQ-UHFFFAOYSA-NALBB-037060

Show more names

methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate - [M17127]

AKOS016010828SB14232AS-77052DA-47515SY520805Methyl 6-Chloro-7-azaindole-4-carboxylateMethyl-6-chloro-7-azaindole-4-carboxylateCS-0004468

Database identifiers

CAS: 1190312-37-8
PubChem CID: 53413062
DTXSID: DTXSID50696659

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 237

Physicochemical properties

Density: 1.453 · 1.453±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 11.78 · 11.78±0.40(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501