1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid

C13H9F2NO3 — CID 82918341

IUPAC1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccc(F)c(F)c2)c(=O)c1
InChIInChI=1S/C13H9F2NO3/c14-10-2-1-8(5-11(10)15)7-16-4-3-9(13(18)19)6-12(16)17/h1-6H,7H2,(H,18,19)
InChIKeyOIHFQHFNXJOHFB-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.87
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 82918341) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID82918341
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccc(F)c(F)c2)c(=O)c1
InChIInChI=1S/C13H9F2NO3/c14-10-2-1-8(5-11(10)15)7-16-4-3-9(13(18)19)6-12(16)17/h1-6H,7H2,(H,18,19)
InChIKeyOIHFQHFNXJOHFB-UHFFFAOYSA-N
XLogP1.87
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902406
1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 114850273
1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502747
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
1-[(3-cyanophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902720
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
CID 44600577
1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176859131
1-[(5-bromothiophen-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901684
[1-[(3-bromo-4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]boronic acid
CID 145311791
2-oxo-1-prop-2-ynylpyridine-4-carboxylic acid
CID 82902412
1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropanoyl)pyrrole-2-carboxylic acid
CID 59576366

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid (CID 82918341) is 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(Cc2ccc(F)c(F)c2)c(=O)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is OIHFQHFNXJOHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-10-2-1-8(5-11(10)15)7-16-4-3-9(13(18)19)6-12(16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82918341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).