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

C19H14FNO3 — CID 22159869

IUPAC2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESCn1c(-c2ccccc2)cc(=O)c(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c1-21-15(12-5-3-2-4-6-12)11-16(22)17(19(23)24)18(21)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,23,24)
InChIKeyBBPNWFOLOTYSEW-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.56
Rot. Bonds3

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

2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid (PubChem CID 22159869) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid
PubChem CID22159869
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESCn1c(-c2ccccc2)cc(=O)c(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c1-21-15(12-5-3-2-4-6-12)11-16(22)17(19(23)24)18(21)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,23,24)
InChIKeyBBPNWFOLOTYSEW-UHFFFAOYSA-N
XLogP3.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid (CID 22159869) is 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid is Cn1c(-c2ccccc2)cc(=O)c(C(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The InChIKey is BBPNWFOLOTYSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-21-15(12-5-3-2-4-6-12)11-16(22)17(19(23)24)18(21)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid has a molecular weight of 323.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-4-oxo-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 22159869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).