5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid

C14H12ClNO3 — CID 19918404

IUPAC5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3/c1-7-11(9-3-5-10(15)6-4-9)8(2)16-13(17)12(7)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPNGJSMNNDXDMPA-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.01
Rot. Bonds2

About 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid

5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 19918404) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID19918404
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3/c1-7-11(9-3-5-10(15)6-4-9)8(2)16-13(17)12(7)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPNGJSMNNDXDMPA-UHFFFAOYSA-N
XLogP3.01
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 19918404) is 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1[nH]c(=O)c(C(=O)O)c(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is PNGJSMNNDXDMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-7-11(9-3-5-10(15)6-4-9)8(2)16-13(17)12(7)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 19918404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).