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Home > Pyridines > 320417-45-6
320417-45-6 | 4-hydroxy-6-phenyl-2-(pyridin-3-yl)pyrimidine-5-carbonitrile
CAS No: 320417-45-6 Catalog No: AG00INV5 MDL No:MFCD00139443
Product Description
Catalog Number:
AG00INV5
Chemical Name:
4-hydroxy-6-phenyl-2-(pyridin-3-yl)pyrimidine-5-carbonitrile
CAS Number:
320417-45-6
Molecular Formula:
C16H10N4O
Molecular Weight:
274.2768
MDL Number:
MFCD00139443
IUPAC Name:
6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C16H10N4O/c17-9-13-14(11-5-2-1-3-6-11)19-15(20-16(13)21)12-7-4-8-18-10-12/h1-8,10H,(H,19,20,21)
InChI Key:
JNDYQVCCDDLXNP-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)nc(nc1c1ccccc1)c1cccnc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.283g/mol
Monoisotopic Mass:
274.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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