5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid

C8H3ClF5NO2 — CID 134675155

IUPAC5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H3ClF5NO2/c9-4-2(6(10)11)1-3(7(16)17)15-5(4)8(12,13)14/h1,6H,(H,16,17)
InChIKeyHGVIHUUOJAIJIF-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.39
Rot. Bonds2

About 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid

5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 134675155) has the molecular formula C8H3ClF5NO2 and a molecular weight of 275.56 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID134675155
Molecular FormulaC8H3ClF5NO2
Molecular Weight275.56 g/mol
Exact Mass274.98
IUPAC Name5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H3ClF5NO2/c9-4-2(6(10)11)1-3(7(16)17)15-5(4)8(12,13)14/h1,6H,(H,16,17)
InChIKeyHGVIHUUOJAIJIF-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 134675155) is 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)F)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is HGVIHUUOJAIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5NO2/c9-4-2(6(10)11)1-3(7(16)17)15-5(4)8(12,13)14/h1,6H,(H,16,17).
What are the key properties of 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 275.56 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134675155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).