AG00IISB

951625-93-7 | 1H-​Pyrrolo[2,​3-​b]​pyridine-​5-​carboxylic acid, 4-​chloro-​, methyl ester

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CAS Number	951625-93-7
Catalog Number	AG00IISB(AGN-PC-0WAJBW)
Chemical Name	1H-​Pyrrolo[2,​3-​b]​pyridine-​5-​carboxylic acid, 4-​chloro-​, methyl ester
IUPAC Name	methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
InChI	InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-12-8-5(7(6)10)2-3-11-8/h2-4H,1H3,(H,11,12)
InChI Key	VMEYNNIKJFNFDS-UHFFFAOYSA-N
MDL Number	MFCD09755979
Molecular Formula	C9H7ClN2O2
Molecular Weight	210.6171
SMILES	Clc1c2c(ncc1C(=O)OC)[nH]cc2
Synonyms	951625-93-7, METHYL 4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLATE, METHYL 4-CHLORO-7-AZAINDOLE-5-CARBOXYLATE, AK152322, 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, methyl ester, 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid,4-chloro-,methyl ester, AC1Q43Q9, SCHEMBL2115690, VMEYNNIKJFNFDS-UHFFFAOYSA-N, 4-CHLORO-7-AZAINDOLE-5-CARBOXYLIC ACID METHYL ESTER, CS-B0807, 3833AH, MFCD09755979, ZINC14807417, AKOS024259802, DS-7232, FCH1393289, PB28028, KS-0000039T, AJ-65401, QC-11365, AB0098407, AX8288738, Q-2914, 4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID METHYL ESTER, C9H7ClN2O2,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.02g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.617g/mol
Monoisotopic Mass	210.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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