5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine

C20H17ClFNO — CID 70268338

IUPAC5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine
SMILESCOc1ccc(Cc2ccc(C)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClFNO/c1-13-6-7-14(12-23-13)10-16-8-9-18(24-2)19(20(16)22)15-4-3-5-17(21)11-15/h3-9,11-12H,10H2,1-2H3
InChIKeyZSISCDOQNTZEKN-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.45
Rot. Bonds4

About 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine (PubChem CID 70268338) has the molecular formula C20H17ClFNO and a molecular weight of 341.81 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine
PubChem CID70268338
Molecular FormulaC20H17ClFNO
Molecular Weight341.81 g/mol
Exact Mass341.10
IUPAC Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine
SMILESCOc1ccc(Cc2ccc(C)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClFNO/c1-13-6-7-14(12-23-13)10-16-8-9-18(24-2)19(20(16)22)15-4-3-5-17(21)11-15/h3-9,11-12H,10H2,1-2H3
InChIKeyZSISCDOQNTZEKN-UHFFFAOYSA-N
XLogP5.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-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 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine?
The IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine (CID 70268338) is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine is COc1ccc(Cc2ccc(C)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine?
The InChIKey is ZSISCDOQNTZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO/c1-13-6-7-14(12-23-13)10-16-8-9-18(24-2)19(20(16)22)15-4-3-5-17(21)11-15/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine?
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine has a molecular weight of 341.81 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methylpyridine is sourced from PubChem (CID 70268338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).