4-(3-chloropropoxy)-2,6-difluoropyridine

C8H8ClF2NO — CID 122669776

IUPAC4-(3-chloropropoxy)-2,6-difluoropyridine
SMILESFc1cc(OCCCCl)cc(F)n1
InChIInChI=1S/C8H8ClF2NO/c9-2-1-3-13-6-4-7(10)12-8(11)5-6/h4-5H,1-3H2
InChIKeyGWIRUBMIQLBKLW-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.37
Rot. Bonds4

About 4-(3-chloropropoxy)-2,6-difluoropyridine

4-(3-chloropropoxy)-2,6-difluoropyridine (PubChem CID 122669776) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 4-(3-chloropropoxy)-2,6-difluoropyridine.

Molecular Properties

Compound Name4-(3-chloropropoxy)-2,6-difluoropyridine
PubChem CID122669776
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name4-(3-chloropropoxy)-2,6-difluoropyridine
SMILESFc1cc(OCCCCl)cc(F)n1
InChIInChI=1S/C8H8ClF2NO/c9-2-1-3-13-6-4-7(10)12-8(11)5-6/h4-5H,1-3H2
InChIKeyGWIRUBMIQLBKLW-UHFFFAOYSA-N
XLogP2.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-chloropropoxy)-2,6-difluoropyridine 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 4-(3-chloropropoxy)-2,6-difluoropyridine?
The IUPAC name of 4-(3-chloropropoxy)-2,6-difluoropyridine (CID 122669776) is 4-(3-chloropropoxy)-2,6-difluoropyridine.
What is the SMILES notation for 4-(3-chloropropoxy)-2,6-difluoropyridine?
The canonical SMILES for 4-(3-chloropropoxy)-2,6-difluoropyridine is Fc1cc(OCCCCl)cc(F)n1.
What is the InChIKey of 4-(3-chloropropoxy)-2,6-difluoropyridine?
The InChIKey is GWIRUBMIQLBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-2-1-3-13-6-4-7(10)12-8(11)5-6/h4-5H,1-3H2.
What are the key properties of 4-(3-chloropropoxy)-2,6-difluoropyridine?
4-(3-chloropropoxy)-2,6-difluoropyridine has a molecular weight of 207.61 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropoxy)-2,6-difluoropyridine is sourced from PubChem (CID 122669776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).