4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid

C8H3ClF5NO2 — CID 134674290

IUPAC4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)cc(Cl)c1C(F)F
InChIInChI=1S/C8H3ClF5NO2/c9-2-1-3(8(12,13)14)15-5(7(16)17)4(2)6(10)11/h1,6H,(H,16,17)
InChIKeyMPULPBAHOBFJFQ-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.39
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid

4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 134674290) has the molecular formula C8H3ClF5NO2 and a molecular weight of 275.56 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID134674290
Molecular FormulaC8H3ClF5NO2
Molecular Weight275.56 g/mol
Exact Mass274.98
IUPAC Name4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)cc(Cl)c1C(F)F
InChIInChI=1S/C8H3ClF5NO2/c9-2-1-3(8(12,13)14)15-5(7(16)17)4(2)6(10)11/h1,6H,(H,16,17)
InChIKeyMPULPBAHOBFJFQ-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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Related Compounds

2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133103853
3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
CID 118823505
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118822759
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 134674290) is 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1nc(C(F)(F)F)cc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is MPULPBAHOBFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5NO2/c9-2-1-3(8(12,13)14)15-5(7(16)17)4(2)6(10)11/h1,6H,(H,16,17).
What are the key properties of 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid?
4-chloro-3-(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 4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134674290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).