2-chloro-3-fluoro-4-(trifluoromethyl)pyridine

C6H2ClF4N — CID 2782813

IUPAC2-chloro-3-fluoro-4-(trifluoromethyl)pyridine
SMILESFc1c(C(F)(F)F)ccnc1Cl
InChIInChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H
InChIKeyYKQVABFVOGPIKX-UHFFFAOYSA-N
MW199.53 g/mol
LogP2.89
Rot. Bonds

About 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine

2-chloro-3-fluoro-4-(trifluoromethyl)pyridine (PubChem CID 2782813) has the molecular formula C6H2ClF4N and a molecular weight of 199.53 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-4-(trifluoromethyl)pyridine
PubChem CID2782813
Molecular FormulaC6H2ClF4N
Molecular Weight199.53 g/mol
Exact Mass198.98
IUPAC Name2-chloro-3-fluoro-4-(trifluoromethyl)pyridine
SMILESFc1c(C(F)(F)F)ccnc1Cl
InChIInChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H
InChIKeyYKQVABFVOGPIKX-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 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine (CID 2782813) is 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine is Fc1c(C(F)(F)F)ccnc1Cl.
What is the InChIKey of 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine?
The InChIKey is YKQVABFVOGPIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H.
What are the key properties of 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine?
2-chloro-3-fluoro-4-(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 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 2782813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).