5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid

C14H12ClNO3 — CID 67979466

IUPAC5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(C)n(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H12ClNO3/c1-8-11(14(18)19)9(2)16(13(17)12(8)15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyKSTXRXVNQLOPDH-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid

5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid (PubChem CID 67979466) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
PubChem CID67979466
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(C)n(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H12ClNO3/c1-8-11(14(18)19)9(2)16(13(17)12(8)15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyKSTXRXVNQLOPDH-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid (CID 67979466) is 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid is Cc1c(C(=O)O)c(C)n(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The InChIKey is KSTXRXVNQLOPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-11(14(18)19)9(2)16(13(17)12(8)15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 67979466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).