3-chloro-2-fluoro-5-(trifluoromethyl)pyridine

C6H2ClF4N — CID 1268075

IUPAC3-chloro-2-fluoro-5-(trifluoromethyl)pyridine
SMILESFc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKeyGDSROTVTTLUHCO-UHFFFAOYSA-N
MW199.53 g/mol
LogP2.89
Rot. Bonds

About 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine

3-chloro-2-fluoro-5-(trifluoromethyl)pyridine (PubChem CID 1268075) has the molecular formula C6H2ClF4N and a molecular weight of 199.53 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-(trifluoromethyl)pyridine
PubChem CID1268075
Molecular FormulaC6H2ClF4N
Molecular Weight199.53 g/mol
Exact Mass198.98
IUPAC Name3-chloro-2-fluoro-5-(trifluoromethyl)pyridine
SMILESFc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKeyGDSROTVTTLUHCO-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.53
LogP ≤ 52.89
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 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine (CID 1268075) is 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine is Fc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine?
The InChIKey is GDSROTVTTLUHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H.
What are the key properties of 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine?
3-chloro-2-fluoro-5-(trifluoromethyl)pyridine has a molecular weight of 199.53 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1268075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).