2,5-dichloro-4-(trifluoromethyl)pyridine

C6H2Cl2F3N — CID 26986016

IUPAC2,5-dichloro-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C6H2Cl2F3N/c7-4-2-12-5(8)1-3(4)6(9,10)11/h1-2H
InChIKeyGFTRYJQAASFSIB-UHFFFAOYSA-N
MW215.99 g/mol
LogP3.41
Rot. Bonds

About 2,5-dichloro-4-(trifluoromethyl)pyridine

2,5-dichloro-4-(trifluoromethyl)pyridine (PubChem CID 26986016) has the molecular formula C6H2Cl2F3N and a molecular weight of 215.99 g/mol. Its IUPAC name is 2,5-dichloro-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,5-dichloro-4-(trifluoromethyl)pyridine
PubChem CID26986016
Molecular FormulaC6H2Cl2F3N
Molecular Weight215.99 g/mol
Exact Mass214.95
IUPAC Name2,5-dichloro-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C6H2Cl2F3N/c7-4-2-12-5(8)1-3(4)6(9,10)11/h1-2H
InChIKeyGFTRYJQAASFSIB-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.99
LogP ≤ 53.41
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 2,5-dichloro-4-(trifluoromethyl)pyridine?
The IUPAC name of 2,5-dichloro-4-(trifluoromethyl)pyridine (CID 26986016) is 2,5-dichloro-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,5-dichloro-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2,5-dichloro-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(trifluoromethyl)pyridine?
The InChIKey is GFTRYJQAASFSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3N/c7-4-2-12-5(8)1-3(4)6(9,10)11/h1-2H.
What are the key properties of 2,5-dichloro-4-(trifluoromethyl)pyridine?
2,5-dichloro-4-(trifluoromethyl)pyridine has a molecular weight of 215.99 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 26986016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).