3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine

C18H11F4NO — CID 46044363

IUPAC3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine
SMILESFc1cc(F)cc(-c2cncc(COc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C18H11F4NO/c19-14-1-2-18(17(22)7-14)24-10-11-3-13(9-23-8-11)12-4-15(20)6-16(21)5-12/h1-9H,10H2
InChIKeyGCXDBIYWRRFQKN-UHFFFAOYSA-N
MW333.28 g/mol
LogP4.88
Rot. Bonds4

About 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine

3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine (PubChem CID 46044363) has the molecular formula C18H11F4NO and a molecular weight of 333.28 g/mol. Its IUPAC name is 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine.

Molecular Properties

Compound Name3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine
PubChem CID46044363
Molecular FormulaC18H11F4NO
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine
SMILESFc1cc(F)cc(-c2cncc(COc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C18H11F4NO/c19-14-1-2-18(17(22)7-14)24-10-11-3-13(9-23-8-11)12-4-15(20)6-16(21)5-12/h1-9H,10H2
InChIKeyGCXDBIYWRRFQKN-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)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-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine?
The IUPAC name of 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine (CID 46044363) is 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine.
What is the SMILES notation for 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine?
The canonical SMILES for 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine is Fc1cc(F)cc(-c2cncc(COc3ccc(F)cc3F)c2)c1.
What is the InChIKey of 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine?
The InChIKey is GCXDBIYWRRFQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO/c19-14-1-2-18(17(22)7-14)24-10-11-3-13(9-23-8-11)12-4-15(20)6-16(21)5-12/h1-9H,10H2.
What are the key properties of 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine?
3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine has a molecular weight of 333.28 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenoxy)methyl]-5-(3,5-difluorophenyl)pyridine is sourced from PubChem (CID 46044363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).