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1000340-86-2 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 6-methyl-
CAS No: 1000340-86-2 Catalog No: AG0000FC MDL No:MFCD09880162
Product Description
Catalog Number:
AG0000FC
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 6-methyl-
CAS Number:
1000340-86-2
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD09880162
IUPAC Name:
6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-6-8(5-10)4-7-2-3-11-9(7)12-6/h2-4H,1H3,(H,11,12)
InChI Key:
PMZKIGBJJTZXKW-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc[nH]c2nc1C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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