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1261470-40-9 | 2-{1H-pyrrolo[2,3-b]pyridin-6-yl}acetonitrile
CAS No: 1261470-40-9 Catalog No: AG01B1CD MDL No:MFCD18414665
Product Description
Catalog Number:
AG01B1CD
Chemical Name:
2-{1H-pyrrolo[2,3-b]pyridin-6-yl}acetonitrile
CAS Number:
1261470-40-9
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD18414665
IUPAC Name:
2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetonitrile
InChI:
InChI=1S/C9H7N3/c10-5-3-8-2-1-7-4-6-11-9(7)12-8/h1-2,4,6H,3H2,(H,11,12)
InChI Key:
DOXPMZKRTFQVTF-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(n1)[nH]cc2
Properties
Complexity:
205
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:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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