2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid

C15H14FNO3 — CID 118759586

IUPAC2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)c(Cc2ccccc2F)n1C
InChIInChI=1S/C15H14FNO3/c1-9-7-13(18)14(15(19)20)12(17(9)2)8-10-5-3-4-6-11(10)16/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyVNOSFOJCPWEFOM-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.12
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid

2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 118759586) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
PubChem CID118759586
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)c(Cc2ccccc2F)n1C
InChIInChI=1S/C15H14FNO3/c1-9-7-13(18)14(15(19)20)12(17(9)2)8-10-5-3-4-6-11(10)16/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyVNOSFOJCPWEFOM-UHFFFAOYSA-N
XLogP2.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Fluorophenyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 89860357
2-(4-Fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075298
1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075299
2-(3-Fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075308
1-Ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075309
6-(4-Fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075326
1,2-Dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 14075343
1-Methyl-2,6-di(4'-fluorophenyl)-4-oxonicotinic acid
CID 14075374
1-Ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 20262632
1-Methyl-4-oxo-2,6-bis(2,3,4-trifluorophenyl)pyridine-3-carboxylic acid
CID 22159845
1-Benzyl-4-oxo-2-propyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22159861
2,6-Bis(3-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
CID 22159868

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid (CID 118759586) is 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)c(Cc2ccccc2F)n1C.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is VNOSFOJCPWEFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-7-13(18)14(15(19)20)12(17(9)2)8-10-5-3-4-6-11(10)16/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 118759586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).