2-chloro-4-fluoro-1,2-dihydropyridine

C5H5ClFN — CID 171537305

IUPAC2-chloro-4-fluoro-1,2-dihydropyridine
SMILESFC1=CC(Cl)NC=C1
InChIInChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h1-3,5,8H
InChIKeyYSAGBQAGFRJHQX-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.52
Rot. Bonds

About 2-chloro-4-fluoro-1,2-dihydropyridine

2-chloro-4-fluoro-1,2-dihydropyridine (PubChem CID 171537305) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-1,2-dihydropyridine
PubChem CID171537305
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name2-chloro-4-fluoro-1,2-dihydropyridine
SMILESFC1=CC(Cl)NC=C1
InChIInChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h1-3,5,8H
InChIKeyYSAGBQAGFRJHQX-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.55
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-4-fluoro-1,2-dihydropyridine 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-4-fluoro-1,2-dihydropyridine?
The IUPAC name of 2-chloro-4-fluoro-1,2-dihydropyridine (CID 171537305) is 2-chloro-4-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 2-chloro-4-fluoro-1,2-dihydropyridine?
The canonical SMILES for 2-chloro-4-fluoro-1,2-dihydropyridine is FC1=CC(Cl)NC=C1.
What is the InChIKey of 2-chloro-4-fluoro-1,2-dihydropyridine?
The InChIKey is YSAGBQAGFRJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h1-3,5,8H.
What are the key properties of 2-chloro-4-fluoro-1,2-dihydropyridine?
2-chloro-4-fluoro-1,2-dihydropyridine has a molecular weight of 133.55 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 171537305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).