3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine

C15H11ClF3NO2 — CID 162534911

IUPAC3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-c2ccc(C3OCCO3)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c16-12-7-11(15(17,18)19)8-20-13(12)9-1-3-10(4-2-9)14-21-5-6-22-14/h1-4,7-8,14H,5-6H2
InChIKeyONCBVXZCCMEOPL-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.47
Rot. Bonds2

About 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 162534911) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID162534911
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-c2ccc(C3OCCO3)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c16-12-7-11(15(17,18)19)8-20-13(12)9-1-3-10(4-2-9)14-21-5-6-22-14/h1-4,7-8,14H,5-6H2
InChIKeyONCBVXZCCMEOPL-UHFFFAOYSA-N
XLogP4.47
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(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 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine (CID 162534911) is 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(-c2ccc(C3OCCO3)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is ONCBVXZCCMEOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-12-7-11(15(17,18)19)8-20-13(12)9-1-3-10(4-2-9)14-21-5-6-22-14/h1-4,7-8,14H,5-6H2.
What are the key properties of 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 329.71 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162534911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).