2-(2,4-difluorophenoxy)-3-heptylpyridine

C18H21F2NO — CID 59545722

IUPAC2-(2,4-difluorophenoxy)-3-heptylpyridine
SMILESCCCCCCCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C18H21F2NO/c1-2-3-4-5-6-8-14-9-7-12-21-18(14)22-17-11-10-15(19)13-16(17)20/h7,9-13H,2-6,8H2,1H3
InChIKeyOVYWFEHRUFCHNP-UHFFFAOYSA-N
MW305.37 g/mol
LogP5.66
Rot. Bonds8

About 2-(2,4-difluorophenoxy)-3-heptylpyridine

2-(2,4-difluorophenoxy)-3-heptylpyridine (PubChem CID 59545722) has the molecular formula C18H21F2NO and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-3-heptylpyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-3-heptylpyridine
PubChem CID59545722
Molecular FormulaC18H21F2NO
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(2,4-difluorophenoxy)-3-heptylpyridine
SMILESCCCCCCCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C18H21F2NO/c1-2-3-4-5-6-8-14-9-7-12-21-18(14)22-17-11-10-15(19)13-16(17)20/h7,9-13H,2-6,8H2,1H3
InChIKeyOVYWFEHRUFCHNP-UHFFFAOYSA-N
XLogP5.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.37
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorophenoxy)-3-heptylpyridine 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-(2,4-difluorophenoxy)-3-heptylpyridine?
The IUPAC name of 2-(2,4-difluorophenoxy)-3-heptylpyridine (CID 59545722) is 2-(2,4-difluorophenoxy)-3-heptylpyridine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-3-heptylpyridine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-3-heptylpyridine is CCCCCCCc1cccnc1Oc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-3-heptylpyridine?
The InChIKey is OVYWFEHRUFCHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO/c1-2-3-4-5-6-8-14-9-7-12-21-18(14)22-17-11-10-15(19)13-16(17)20/h7,9-13H,2-6,8H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-3-heptylpyridine?
2-(2,4-difluorophenoxy)-3-heptylpyridine has a molecular weight of 305.37 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-3-heptylpyridine is sourced from PubChem (CID 59545722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).