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87388-66-7 | 1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)-
CAS No: 87388-66-7 Catalog No: AG004NQL MDL No:
Product Description
Catalog Number:
AG004NQL
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)-
CAS Number:
87388-66-7
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
IUPAC Name:
4-pyridin-3-yl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C10H7N3/c11-4-9-6-13-7-10(9)8-2-1-3-12-5-8/h1-3,5-7,13H
InChI Key:
KWOATYWYEOGBAP-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1cccnc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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