6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine

C10H6ClF3N2 — CID 175273250

IUPAC6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cl)nc1-c1ccc[nH]1
InChIInChI=1S/C10H6ClF3N2/c11-8-4-3-6(10(12,13)14)9(16-8)7-2-1-5-15-7/h1-5,15H
InChIKeyBBFCZMZDXOUGAV-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.75
Rot. Bonds1

About 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine

6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine (PubChem CID 175273250) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine
PubChem CID175273250
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cl)nc1-c1ccc[nH]1
InChIInChI=1S/C10H6ClF3N2/c11-8-4-3-6(10(12,13)14)9(16-8)7-2-1-5-15-7/h1-5,15H
InChIKeyBBFCZMZDXOUGAV-UHFFFAOYSA-N
XLogP3.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(1H-pyrrol-2-yl)-3-(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 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine (CID 175273250) is 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Cl)nc1-c1ccc[nH]1.
What is the InChIKey of 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is BBFCZMZDXOUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-8-4-3-6(10(12,13)14)9(16-8)7-2-1-5-15-7/h1-5,15H.
What are the key properties of 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine?
6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 246.62 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 175273250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).