4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C13H10ClNO3 — CID 82091381

IUPAC4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1-c1cc[nH]c(=O)c1C(=O)O
InChIInChI=1S/C13H10ClNO3/c1-7-6-8(14)2-3-9(7)10-4-5-15-12(16)11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyPRUKQZSGBSMGDG-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.70
Rot. Bonds2

About 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82091381) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82091381
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1-c1cc[nH]c(=O)c1C(=O)O
InChIInChI=1S/C13H10ClNO3/c1-7-6-8(14)2-3-9(7)10-4-5-15-12(16)11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyPRUKQZSGBSMGDG-UHFFFAOYSA-N
XLogP2.70
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 82091381) is 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(Cl)ccc1-c1cc[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is PRUKQZSGBSMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-7-6-8(14)2-3-9(7)10-4-5-15-12(16)11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82091381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).