5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid

C9H10ClNO3 — CID 84723805

IUPAC5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1cc(Cl)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-3-5-4-6(10)8(12)11(2)7(5)9(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyZAGZTXHQVOYPND-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.30
Rot. Bonds2

About 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid

5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84723805) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID84723805
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1cc(Cl)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-3-5-4-6(10)8(12)11(2)7(5)9(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyZAGZTXHQVOYPND-UHFFFAOYSA-N
XLogP1.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84729312
1,4-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 53665467
1-Ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
CID 146424734
5-chloro-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 84071172
1,3-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 84717178
3-Ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84718448
5-Chloro-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84719099
1-Methyl-6-oxo-3-propylpyridine-2-carboxylic acid
CID 84720420
1-Methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
CID 84720421
5-chloro-3-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 84721382
5-Chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
CID 84721383
1-Methyl-3-(2-methylpropyl)-6-oxopyridine-2-carboxylic acid
CID 84722819

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid (CID 84723805) is 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid is CCc1cc(Cl)c(=O)n(C)c1C(=O)O.
What is the InChIKey of 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is ZAGZTXHQVOYPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-3-5-4-6(10)8(12)11(2)7(5)9(13)14/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84723805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).