5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid

C7H4ClF2NO3 — CID 130072667

IUPAC5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(Cl)c(C(F)F)[nH]1
InChIInChI=1S/C7H4ClF2NO3/c8-4-3(12)1-2(7(13)14)11-5(4)6(9)10/h1,6H,(H,11,12)(H,13,14)
InChIKeyFJQGBYHLAOXRCU-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.66
Rot. Bonds2

About 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid

5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130072667) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130072667
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(Cl)c(C(F)F)[nH]1
InChIInChI=1S/C7H4ClF2NO3/c8-4-3(12)1-2(7(13)14)11-5(4)6(9)10/h1,6H,(H,11,12)(H,13,14)
InChIKeyFJQGBYHLAOXRCU-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid (CID 130072667) is 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(=O)c(Cl)c(C(F)F)[nH]1.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is FJQGBYHLAOXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-4-3(12)1-2(7(13)14)11-5(4)6(9)10/h1,6H,(H,11,12)(H,13,14).
What are the key properties of 5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
5-chloro-6-(difluoromethyl)-4-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-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130072667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).