AG00IBKG

661487-17-8 | 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid,1,4,6,7-tetrahydro-3-iodo-, 1,1-dimethylethyl ester

AG00IBKG

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CAS Number	661487-17-8
Catalog Number	AG00IBKG(AGN-PC-0TJMZ3)
Chemical Name	5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid,1,4,6,7-tetrahydro-3-iodo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-iodo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
InChI	InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H,13,14)
InChI Key	QXSGVQDVERTESA-UHFFFAOYSA-N
MDL Number	MFCD27978466
Molecular Formula	C11H16IN3O2
Molecular Weight	349.1681
SMILES	Ic1c2c([nH]n1)CCN(C2)C(=O)OC(C)(C)C
Synonyms	661487-17-8, tert-butyl 3-iodo-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate, 5-Boc-3-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine, tert-Butyl 3-iodo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate, tert-butyl 3-iodo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate, 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-3-iodo-, 1,1-dimethylethyl ester, SCHEMBL10095038, KS-000005OL, MFCD27978466, ZINC38823066, AKOS025291079, FCH2899051, SB13348, AK171297, AS-52044, SY044789, CS-0048282, X3809, MFCD27978466 (95%), 5-Boc-3-Iodo-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine, tert-Butyl 3-iodo-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate, 1,4,6,7-Tetrahydro-3-iodo-5H-pyrazolo[4,3-c]pyridine-5-carboxylic acid 1,1-dimethylethyl ester, 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid,1,4,6,7-tetrahydro-3-iodo-, 1,1-dimethylethyl ester, 5h-pyrazolo[4,3-c]pyridine-5-carboxylic acid,1,4,6,7-tetrahydro-3-iodo-,1,1-dimethylethyl ester, C11H16IN3O2, CID10427869, tert-Butyl 3-iodo-1,4,6,7-tetrahydropyrazolo-[4,3-c]pyridine-5-carboxylate, Tert-butyl 7-iodo-4,8,9-triazabicyclo[4.3.0]nona-7,10-diene-4-carboxylate,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	349.029g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	349.172g/mol
Monoisotopic Mass	349.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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