4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine

C18H13ClFNO — CID 11438401

IUPAC4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine
SMILESCc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H13ClFNO/c1-12-10-14(19)11-18(21-12)13-2-6-16(7-3-13)22-17-8-4-15(20)5-9-17/h2-11H,1H3
InChIKeyNUWFGNIFOOGCGE-UHFFFAOYSA-N
MW313.76 g/mol
LogP5.64
Rot. Bonds3

About 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine

4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine (PubChem CID 11438401) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine.

Molecular Properties

Compound Name4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine
PubChem CID11438401
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine
SMILESCc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H13ClFNO/c1-12-10-14(19)11-18(21-12)13-2-6-16(7-3-13)22-17-8-4-15(20)5-9-17/h2-11H,1H3
InChIKeyNUWFGNIFOOGCGE-UHFFFAOYSA-N
XLogP5.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.76
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine 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-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine?
The IUPAC name of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine (CID 11438401) is 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine.
What is the SMILES notation for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine?
The canonical SMILES for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine is Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine?
The InChIKey is NUWFGNIFOOGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c1-12-10-14(19)11-18(21-12)13-2-6-16(7-3-13)22-17-8-4-15(20)5-9-17/h2-11H,1H3.
What are the key properties of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine?
4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine has a molecular weight of 313.76 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine is sourced from PubChem (CID 11438401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).