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

C13H10FNO3 — CID 16896680

IUPAC1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO3/c14-11-4-1-9(2-5-11)7-15-8-10(13(17)18)3-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKeySCCIZPNWNADCEC-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.73
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 16896680) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID16896680
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO3/c14-11-4-1-9(2-5-11)7-15-8-10(13(17)18)3-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKeySCCIZPNWNADCEC-UHFFFAOYSA-N
XLogP1.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Fluoro-benzyl)-methyl-carbamoyl]-2-hydroxy-acrylic acid
CID 54689293
1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764224
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
1-[(2-Chlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764223
2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2775908
3-(Benzyl(methyl)carbamoyl)prop-2-enoic acid
CID 5934581
Methyl 2-[1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]acetate
CID 54679651
(Z)-4-[5-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 56838947
(Z)-4-[5-benzyl-1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70681874
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764874
1-Benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 2764021
(Z)-4-[5-benzyl-1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70690274

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 16896680) is 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is SCCIZPNWNADCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-4-1-9(2-5-11)7-15-8-10(13(17)18)3-6-12(15)16/h1-6,8H,7H2,(H,17,18).
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 16896680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).