6-chloro-1-fluoro-2H-pyridine

C5H5ClFN — CID 87294216

IUPAC6-chloro-1-fluoro-2H-pyridine
SMILESFN1CC=CC=C1Cl
InChIInChI=1S/C5H5ClFN/c6-5-3-1-2-4-8(5)7/h1-3H,4H2
InChIKeyJEASUNOXLRQVTO-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.82
Rot. Bonds

About 6-chloro-1-fluoro-2H-pyridine

6-chloro-1-fluoro-2H-pyridine (PubChem CID 87294216) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 6-chloro-1-fluoro-2H-pyridine.

Molecular Properties

Compound Name6-chloro-1-fluoro-2H-pyridine
PubChem CID87294216
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name6-chloro-1-fluoro-2H-pyridine
SMILESFN1CC=CC=C1Cl
InChIInChI=1S/C5H5ClFN/c6-5-3-1-2-4-8(5)7/h1-3H,4H2
InChIKeyJEASUNOXLRQVTO-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.55
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-1-fluoro-2H-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-1-fluoro-2H-pyridine?
The IUPAC name of 6-chloro-1-fluoro-2H-pyridine (CID 87294216) is 6-chloro-1-fluoro-2H-pyridine.
What is the SMILES notation for 6-chloro-1-fluoro-2H-pyridine?
The canonical SMILES for 6-chloro-1-fluoro-2H-pyridine is FN1CC=CC=C1Cl.
What is the InChIKey of 6-chloro-1-fluoro-2H-pyridine?
The InChIKey is JEASUNOXLRQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-5-3-1-2-4-8(5)7/h1-3H,4H2.
What are the key properties of 6-chloro-1-fluoro-2H-pyridine?
6-chloro-1-fluoro-2H-pyridine has a molecular weight of 133.55 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-fluoro-2H-pyridine is sourced from PubChem (CID 87294216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).