2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid

C19H13F2NO3 — CID 22159868

IUPAC2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
SMILESCn1c(-c2cccc(F)c2)cc(=O)c(C(=O)O)c1-c1cccc(F)c1
InChIInChI=1S/C19H13F2NO3/c1-22-15(11-4-2-6-13(20)8-11)10-16(23)17(19(24)25)18(22)12-5-3-7-14(21)9-12/h2-10H,1H3,(H,24,25)
InChIKeyOVSVSHGWWOKQOJ-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.70
Rot. Bonds3

About 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid

2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 22159868) has the molecular formula C19H13F2NO3 and a molecular weight of 341.31 g/mol. Its IUPAC name is 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID22159868
Molecular FormulaC19H13F2NO3
Molecular Weight341.31 g/mol
Exact Mass341.09
IUPAC Name2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
SMILESCn1c(-c2cccc(F)c2)cc(=O)c(C(=O)O)c1-c1cccc(F)c1
InChIInChI=1S/C19H13F2NO3/c1-22-15(11-4-2-6-13(20)8-11)10-16(23)17(19(24)25)18(22)12-5-3-7-14(21)9-12/h2-10H,1H3,(H,24,25)
InChIKeyOVSVSHGWWOKQOJ-UHFFFAOYSA-N
XLogP3.70
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid (CID 22159868) is 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid is Cn1c(-c2cccc(F)c2)cc(=O)c(C(=O)O)c1-c1cccc(F)c1.
What is the InChIKey of 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is OVSVSHGWWOKQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3/c1-22-15(11-4-2-6-13(20)8-11)10-16(23)17(19(24)25)18(22)12-5-3-7-14(21)9-12/h2-10H,1H3,(H,24,25).
What are the key properties of 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 341.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 22159868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).