1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid

C13H9ClFNO3 — CID 114850273

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccc(Cl)cc2F)c(=O)c1
InChIInChI=1S/C13H9ClFNO3/c14-10-2-1-9(11(15)6-10)7-16-4-3-8(13(18)19)5-12(16)17/h1-6H,7H2,(H,18,19)
InChIKeyBJBZVNZMVYLBRP-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.39
Rot. Bonds3

About 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 114850273) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID114850273
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccc(Cl)cc2F)c(=O)c1
InChIInChI=1S/C13H9ClFNO3/c14-10-2-1-9(11(15)6-10)7-16-4-3-8(13(18)19)5-12(16)17/h1-6H,7H2,(H,18,19)
InChIKeyBJBZVNZMVYLBRP-UHFFFAOYSA-N
XLogP2.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502747
5-bromo-1-[(4-chloro-2-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 114850265
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82918341
1-[(3-bromo-4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902406
1-[(3-chloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82897352
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
3-bromo-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 102766201
3-bromo-4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 102766222
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
CID 44600577
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid (CID 114850273) is 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(Cc2ccc(Cl)cc2F)c(=O)c1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is BJBZVNZMVYLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-10-2-1-9(11(15)6-10)7-16-4-3-8(13(18)19)5-12(16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 114850273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).