AG000OGR

1256825-86-1 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, methyl ester

AG000OGR

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CAS Number	1256825-86-1
Catalog Number	AG000OGR(AGN-PC-0BU62C)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, methyl ester
IUPAC Name	methyl 1H-pyrrolo[2,3-b]pyridine-6-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-6-4-5-10-8(6)11-7/h2-5H,1H3,(H,10,11)
InChI Key	XNOPDFAJQROROS-UHFFFAOYSA-N
MDL Number	MFCD18254868
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	COC(=O)C1=CC=C2C=CNC2=N1
Synonyms	Methyl 1H-pyrrolo[2,3-b]pyridine-6-carboxylate, 1256825-86-1, METHYL 7-AZAINDOLE-6-CARBOXYLATE, methyl 7H-pyrrolo[2,3-b]pyridine-6-carboxylate, 7-AZAINDOLE-6-CARBOXYLIC ACID METHYL ESTER, SCHEMBL1161415, CTK8B7253, DTXSID10726825, XNOPDFAJQROROS-UHFFFAOYSA-N, KS-000006SO, 4847AA, ANW-56826, MFCD18254868, ZINC66054464, AKOS016002427, CS-W006745, PB16753, AK100048, AS-38725, AJ-115661, TC-145571, 4CH-003680, Q-3475, 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, methyl ester, Methyl 1H-pyrrolo[2,3-b]pyridine-6-carboxylate, AldrichCPR, 1H-PYRROLO[2,3-B]PYRIDINE-6-CARBOXYLIC ACID METHYL ESTER, C9H8N2O2, Methyl1H-pyrrolo[2,3-b]pyridine-6-carboxylate,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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