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

C12H6ClF4N — CID 46312062

IUPAC2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
SMILESFc1cccc(-c2cc(C(F)(F)F)cnc2Cl)c1
InChIInChI=1S/C12H6ClF4N/c13-11-10(7-2-1-3-9(14)4-7)5-8(6-18-11)12(15,16)17/h1-6H
InChIKeyJMCASTPMUZREDC-UHFFFAOYSA-N
MW275.63 g/mol
LogP4.56
Rot. Bonds1

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

2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine (PubChem CID 46312062) has the molecular formula C12H6ClF4N and a molecular weight of 275.63 g/mol. Its IUPAC name is 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
PubChem CID46312062
Molecular FormulaC12H6ClF4N
Molecular Weight275.63 g/mol
Exact Mass275.01
IUPAC Name2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
SMILESFc1cccc(-c2cc(C(F)(F)F)cnc2Cl)c1
InChIInChI=1S/C12H6ClF4N/c13-11-10(7-2-1-3-9(14)4-7)5-8(6-18-11)12(15,16)17/h1-6H
InChIKeyJMCASTPMUZREDC-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.63
LogP ≤ 54.56
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-(3-fluorophenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine (CID 46312062) is 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine is Fc1cccc(-c2cc(C(F)(F)F)cnc2Cl)c1.
What is the InChIKey of 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is JMCASTPMUZREDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N/c13-11-10(7-2-1-3-9(14)4-7)5-8(6-18-11)12(15,16)17/h1-6H.
What are the key properties of 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine?
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 275.63 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 46312062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).