5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid

C7H4ClF2NO3 — CID 130072679

IUPAC5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF2NO3/c8-3-1-2(5(9)10)4(7(13)14)11-6(3)12/h1,5H,(H,11,12)(H,13,14)
InChIKeyCITYAIAYGRMSCW-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.66
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid

5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130072679) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130072679
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF2NO3/c8-3-1-2(5(9)10)4(7(13)14)11-6(3)12/h1,5H,(H,11,12)(H,13,14)
InChIKeyCITYAIAYGRMSCW-UHFFFAOYSA-N
XLogP1.66
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.56
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fluopicolid M-13 Hydroxy group isomer
CID 139597294
6-Hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 72215673
6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84722345
5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84724930
5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84728186
5-Chloro-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84729312
4-(Difluoromethyl)-6-hydroxy-3-(trifluoromethyl)picolinic acid
CID 118800394
4-Amino-3-(difluoromethyl)-6-hydroxypicolinic acid
CID 118806514
4-Chloro-3-(difluoromethyl)-6-hydroxypyridine-2-carboxylic acid
CID 118821921
4-(Difluoromethyl)-3-fluoro-6-hydroxypicolinic acid
CID 118823284
4-(Difluoromethyl)-6-hydroxy-5-methylpicolinic acid
CID 118823912
4-(Chloromethyl)-5-(difluoromethyl)-6-hydroxypicolinic acid
CID 118824189

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 130072679) is 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)c(Cl)cc1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is CITYAIAYGRMSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-3-1-2(5(9)10)4(7(13)14)11-6(3)12/h1,5H,(H,11,12)(H,13,14).
What are the key properties of 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 223.56 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130072679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).