AG000KMQ

1234616-14-8 | 1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, ethyl ester

AG000KMQ

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CAS Number	1234616-14-8
Catalog Number	AG000KMQ(AGN-PC-0WA4ME)
Chemical Name	1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, ethyl ester
IUPAC Name	ethyl 1H-pyrazolo[4,3-b]pyridine-3-carboxylate
InChI	InChI=1S/C9H9N3O2/c1-2-14-9(13)8-7-6(11-12-8)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12)
InChI Key	AVYQUJPXOZPFCU-UHFFFAOYSA-N
MDL Number	MFCD16658534
Molecular Formula	C9H9N3O2
Molecular Weight	191.1867
SMILES	O=C(C1=NNC2=CC=CN=C21)OCC
Synonyms	ETHYL 1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE, 1234616-14-8, 1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, ethyl ester, AK128548, J-504740, SCHEMBL16538721, DTXSID50725539, AVYQUJPXOZPFCU-UHFFFAOYSA-N, 4480AA, MFCD16658534, ZINC72193753, AKOS015949492, DS-5887, FCH1188445, PB31795, RP09569, VP12931, OR305461, AB0109862, AJ-119484, AX8250610, ST1211266, AM20050722, FT-0684833, C-8295, C9H9N3O2, Ethyl1H-pyrazolo[4,3-b]pyridine-3-carboxylate, 1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLIC ACID,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.19g/mol
Monoisotopic Mass	191.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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