2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

C11H5ClF4N2 — CID 118008337

IUPAC2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESFc1cnc(Cl)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H5ClF4N2/c12-10-3-7(8(13)5-18-10)6-1-2-9(17-4-6)11(14,15)16/h1-5H
InChIKeySJZVYMAEMMJYMI-UHFFFAOYSA-N
MW276.62 g/mol
LogP3.95
Rot. Bonds1

About 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (PubChem CID 118008337) has the molecular formula C11H5ClF4N2 and a molecular weight of 276.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
PubChem CID118008337
Molecular FormulaC11H5ClF4N2
Molecular Weight276.62 g/mol
Exact Mass276.01
IUPAC Name2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESFc1cnc(Cl)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H5ClF4N2/c12-10-3-7(8(13)5-18-10)6-1-2-9(17-4-6)11(14,15)16/h1-5H
InChIKeySJZVYMAEMMJYMI-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.62
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2,4'-Bipyridine
CID 68488
(-)-Chlorpheniramine
CID 716121
4-Chloroquinoline
CID 69140
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743
2-(4'-Chlorobenzyl)pyridine
CID 78054
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
2-(P-Chlorostyryl)pyridine
CID 219326
3-(2-(3-Chlorophenyl)ethyl)-2-pyridinecarbonitrile
CID 4123225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (CID 118008337) is 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is Fc1cnc(Cl)cc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The InChIKey is SJZVYMAEMMJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4N2/c12-10-3-7(8(13)5-18-10)6-1-2-9(17-4-6)11(14,15)16/h1-5H.
What are the key properties of 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine has a molecular weight of 276.62 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 118008337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).