2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine

C12H5F6N — CID 133089017

IUPAC2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine
SMILESFc1cc(-c2cccc(F)c2F)nc(C(F)(F)F)c1
InChIInChI=1S/C12H5F6N/c13-6-4-9(19-10(5-6)12(16,17)18)7-2-1-3-8(14)11(7)15/h1-5H
InChIKeyNXIPRHKUDQDOCO-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.18
Rot. Bonds1

About 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine

2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine (PubChem CID 133089017) has the molecular formula C12H5F6N and a molecular weight of 277.17 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine
PubChem CID133089017
Molecular FormulaC12H5F6N
Molecular Weight277.17 g/mol
Exact Mass277.03
IUPAC Name2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine
SMILESFc1cc(-c2cccc(F)c2F)nc(C(F)(F)F)c1
InChIInChI=1S/C12H5F6N/c13-6-4-9(19-10(5-6)12(16,17)18)7-2-1-3-8(14)11(7)15/h1-5H
InChIKeyNXIPRHKUDQDOCO-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine (CID 133089017) is 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine is Fc1cc(-c2cccc(F)c2F)nc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine?
The InChIKey is NXIPRHKUDQDOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6N/c13-6-4-9(19-10(5-6)12(16,17)18)7-2-1-3-8(14)11(7)15/h1-5H.
What are the key properties of 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine?
2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine has a molecular weight of 277.17 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 133089017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).