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577777-13-0 | 1H-Imidazo[4,5-b]pyridine-2-acetonitrile, 7-methyl- (9CI)
CAS No: 577777-13-0 Catalog No: AG00EX7K MDL No:MFCD20403343
Product Description
Catalog Number:
AG00EX7K
Chemical Name:
1H-Imidazo[4,5-b]pyridine-2-acetonitrile, 7-methyl- (9CI)
CAS Number:
577777-13-0
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
MDL Number:
MFCD20403343
IUPAC Name:
2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)acetonitrile
InChI:
InChI=1S/C9H8N4/c1-6-3-5-11-9-8(6)12-7(13-9)2-4-10/h3,5H,2H2,1H3,(H,11,12,13)
InChI Key:
IAZHCZZYVVAUGK-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c([nH]1)nccc2C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.191g/mol
Monoisotopic Mass:
172.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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