1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

C13H10ClNO3 — CID 2764223

IUPAC1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKeyUTHKVSFOOCIQAL-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.25
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 2764223) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID2764223
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKeyUTHKVSFOOCIQAL-UHFFFAOYSA-N
XLogP2.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764224
1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
1-(2-Chloro-6-fluorobenzyl)-3-methyl-1,2-dihydropyridin-2-one
CID 2805343
1-(2-chloro-6-fluorobenzyl)pyridin-2(1H)-one
CID 943457
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
1-(2,4-dichlorobenzyl)-N,N-dimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764864
5-Chloro-1-(2,4-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
CID 2764875
1-(2,6-dichlorobenzyl)-3-methylpyridin-2(1H)-one
CID 2805344
1-(2,6-dichlorobenzyl)pyridin-2(1H)-one
CID 1837198
1-[(2-Chlorophenyl)methyl]-4-ethylpyridin-2-one
CID 124162188
1-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 18179616
1-{2-[(2-Chloro-4-fluorobenzyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 71307984

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 2764223) is 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is UTHKVSFOOCIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 2764223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).