6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid

C14H12ClNO3 — CID 14075336

IUPAC6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)cc(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C14H12ClNO3/c1-8-13(14(18)19)12(17)7-11(16(8)2)9-4-3-5-10(15)6-9/h3-7H,1-2H3,(H,18,19)
InChIKeyLYZFBHNQVWXQIS-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.71
Rot. Bonds2

About 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid

6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 14075336) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
PubChem CID14075336
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)cc(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C14H12ClNO3/c1-8-13(14(18)19)12(17)7-11(16(8)2)9-4-3-5-10(15)6-9/h3-7H,1-2H3,(H,18,19)
InChIKeyLYZFBHNQVWXQIS-UHFFFAOYSA-N
XLogP2.71
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid (CID 14075336) is 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid is Cc1c(C(=O)O)c(=O)cc(-c2cccc(Cl)c2)n1C.
What is the InChIKey of 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is LYZFBHNQVWXQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-13(14(18)19)12(17)7-11(16(8)2)9-4-3-5-10(15)6-9/h3-7H,1-2H3,(H,18,19).
What are the key properties of 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid?
6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14075336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).