3-chloro-4,4-difluoro-3H-pyridine

C5H4ClF2N — CID 151559594

IUPAC3-chloro-4,4-difluoro-3H-pyridine
SMILESFC1(F)C=CN=CC1Cl
InChIInChI=1S/C5H4ClF2N/c6-4-3-9-2-1-5(4,7)8/h1-4H
InChIKeyQCEPOPXKBDIAMR-UHFFFAOYSA-N
MW151.54 g/mol
LogP1.83
Rot. Bonds

About 3-chloro-4,4-difluoro-3H-pyridine

3-chloro-4,4-difluoro-3H-pyridine (PubChem CID 151559594) has the molecular formula C5H4ClF2N and a molecular weight of 151.54 g/mol. Its IUPAC name is 3-chloro-4,4-difluoro-3H-pyridine.

Molecular Properties

Compound Name3-chloro-4,4-difluoro-3H-pyridine
PubChem CID151559594
Molecular FormulaC5H4ClF2N
Molecular Weight151.54 g/mol
Exact Mass151.00
IUPAC Name3-chloro-4,4-difluoro-3H-pyridine
SMILESFC1(F)C=CN=CC1Cl
InChIInChI=1S/C5H4ClF2N/c6-4-3-9-2-1-5(4,7)8/h1-4H
InChIKeyQCEPOPXKBDIAMR-UHFFFAOYSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.54
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-4,4-difluoro-3H-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-4,4-difluoro-3H-pyridine?
The IUPAC name of 3-chloro-4,4-difluoro-3H-pyridine (CID 151559594) is 3-chloro-4,4-difluoro-3H-pyridine.
What is the SMILES notation for 3-chloro-4,4-difluoro-3H-pyridine?
The canonical SMILES for 3-chloro-4,4-difluoro-3H-pyridine is FC1(F)C=CN=CC1Cl.
What is the InChIKey of 3-chloro-4,4-difluoro-3H-pyridine?
The InChIKey is QCEPOPXKBDIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N/c6-4-3-9-2-1-5(4,7)8/h1-4H.
What are the key properties of 3-chloro-4,4-difluoro-3H-pyridine?
3-chloro-4,4-difluoro-3H-pyridine has a molecular weight of 151.54 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,4-difluoro-3H-pyridine is sourced from PubChem (CID 151559594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).