phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile

C18H13N3O — CID 67912656

IUPACphenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
SMILESN#Cc1ccncc1.O=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H9NO.C6H4N2/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;7-5-6-1-3-8-4-2-6/h1-9H;1-4H
InChIKeyUANZPMGVCPFOKR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.27
Rot. Bonds2

About phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile

phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile (PubChem CID 67912656) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile.

Molecular Properties

Compound Namephenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
PubChem CID67912656
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Namephenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
SMILESN#Cc1ccncc1.O=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H9NO.C6H4N2/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;7-5-6-1-3-8-4-2-6/h1-9H;1-4H
InChIKeyUANZPMGVCPFOKR-UHFFFAOYSA-N
XLogP3.27
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
azanide;pyridine-4-carbonitrile;bis(ruthenium(5+))
CID 22982392
diphenylmethanone
CID 3102
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
lithium;formic acid;hydride;pyridine-4-carbonitrile
CID 174671107
benzamide;pyridine-4-carboxamide
CID 175267661
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
4-[(4-benzoylpyridin-1-ium-1-yl)methyl]benzonitrile
CID 8858902
2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
CID 162307766

Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile?
The IUPAC name of phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile (CID 67912656) is phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile.
What is the SMILES notation for phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile?
The canonical SMILES for phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile is N#Cc1ccncc1.O=C(c1ccccc1)c1ccncc1.
What is the InChIKey of phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile?
The InChIKey is UANZPMGVCPFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.C6H4N2/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;7-5-6-1-3-8-4-2-6/h1-9H;1-4H.
What are the key properties of phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile?
phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile is sourced from PubChem (CID 67912656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).