4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile

C19H13FN2O — CID 175962931

IUPAC4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCn1c(-c2ccccc2)cc(-c2ccc(F)cc2)c(C#N)c1=O
InChIInChI=1S/C19H13FN2O/c1-22-18(14-5-3-2-4-6-14)11-16(17(12-21)19(22)23)13-7-9-15(20)10-8-13/h2-11H,1H3
InChIKeyHYUBBOAHUHZZEM-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.73
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile

4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile (PubChem CID 175962931) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
PubChem CID175962931
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCn1c(-c2ccccc2)cc(-c2ccc(F)cc2)c(C#N)c1=O
InChIInChI=1S/C19H13FN2O/c1-22-18(14-5-3-2-4-6-14)11-16(17(12-21)19(22)23)13-7-9-15(20)10-8-13/h2-11H,1H3
InChIKeyHYUBBOAHUHZZEM-UHFFFAOYSA-N
XLogP3.73
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile (CID 175962931) is 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile is Cn1c(-c2ccccc2)cc(-c2ccc(F)cc2)c(C#N)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The InChIKey is HYUBBOAHUHZZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c1-22-18(14-5-3-2-4-6-14)11-16(17(12-21)19(22)23)13-7-9-15(20)10-8-13/h2-11H,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile has a molecular weight of 304.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 175962931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).