2,3-difluoro-5-(trifluoromethyl)pyridine

C6H2F5N — CID 13421547

IUPAC2,3-difluoro-5-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)cnc1F
InChIInChI=1S/C6H2F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKeyXIFCGIKPAAZFFS-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.38
Rot. Bonds

About 2,3-difluoro-5-(trifluoromethyl)pyridine

2,3-difluoro-5-(trifluoromethyl)pyridine (PubChem CID 13421547) has the molecular formula C6H2F5N and a molecular weight of 183.08 g/mol. Its IUPAC name is 2,3-difluoro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-difluoro-5-(trifluoromethyl)pyridine
PubChem CID13421547
Molecular FormulaC6H2F5N
Molecular Weight183.08 g/mol
Exact Mass183.01
IUPAC Name2,3-difluoro-5-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)cnc1F
InChIInChI=1S/C6H2F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKeyXIFCGIKPAAZFFS-UHFFFAOYSA-N
XLogP2.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2,3-difluoro-5-(trifluoromethyl)pyridine (CID 13421547) is 2,3-difluoro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3-difluoro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3-difluoro-5-(trifluoromethyl)pyridine is Fc1cc(C(F)(F)F)cnc1F.
What is the InChIKey of 2,3-difluoro-5-(trifluoromethyl)pyridine?
The InChIKey is XIFCGIKPAAZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H.
What are the key properties of 2,3-difluoro-5-(trifluoromethyl)pyridine?
2,3-difluoro-5-(trifluoromethyl)pyridine has a molecular weight of 183.08 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 13421547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).