2-chloro-1,2-bis(trifluoromethyl)pyridine

C7H4ClF6N — CID 150320542

IUPAC2-chloro-1,2-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)N1C=CC=CC1(Cl)C(F)(F)F
InChIInChI=1S/C7H4ClF6N/c8-5(6(9,10)11)3-1-2-4-15(5)7(12,13)14/h1-4H
InChIKeyGNNPVEUTTIAZDS-UHFFFAOYSA-N
MW251.56 g/mol
LogP3.39
Rot. Bonds

About 2-chloro-1,2-bis(trifluoromethyl)pyridine

2-chloro-1,2-bis(trifluoromethyl)pyridine (PubChem CID 150320542) has the molecular formula C7H4ClF6N and a molecular weight of 251.56 g/mol. Its IUPAC name is 2-chloro-1,2-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-1,2-bis(trifluoromethyl)pyridine
PubChem CID150320542
Molecular FormulaC7H4ClF6N
Molecular Weight251.56 g/mol
Exact Mass250.99
IUPAC Name2-chloro-1,2-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)N1C=CC=CC1(Cl)C(F)(F)F
InChIInChI=1S/C7H4ClF6N/c8-5(6(9,10)11)3-1-2-4-15(5)7(12,13)14/h1-4H
InChIKeyGNNPVEUTTIAZDS-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-1,2-bis(trifluoromethyl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,2-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-1,2-bis(trifluoromethyl)pyridine (CID 150320542) is 2-chloro-1,2-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-1,2-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-1,2-bis(trifluoromethyl)pyridine is FC(F)(F)N1C=CC=CC1(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,2-bis(trifluoromethyl)pyridine?
The InChIKey is GNNPVEUTTIAZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF6N/c8-5(6(9,10)11)3-1-2-4-15(5)7(12,13)14/h1-4H.
What are the key properties of 2-chloro-1,2-bis(trifluoromethyl)pyridine?
2-chloro-1,2-bis(trifluoromethyl)pyridine has a molecular weight of 251.56 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 150320542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).