2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine

C12H8Cl2FN — CID 118807943

IUPAC2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine
SMILESCc1ccc(F)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H8Cl2FN/c1-7-5-6-10(15)12(16-7)11-8(13)3-2-4-9(11)14/h2-6H,1H3
InChIKeyICHNGJIUEZPFTM-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.50
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine

2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine (PubChem CID 118807943) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine
PubChem CID118807943
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine
SMILESCc1ccc(F)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H8Cl2FN/c1-7-5-6-10(15)12(16-7)11-8(13)3-2-4-9(11)14/h2-6H,1H3
InChIKeyICHNGJIUEZPFTM-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine (CID 118807943) is 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine is Cc1ccc(F)c(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine?
The InChIKey is ICHNGJIUEZPFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c1-7-5-6-10(15)12(16-7)11-8(13)3-2-4-9(11)14/h2-6H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine?
2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine has a molecular weight of 256.11 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine is sourced from PubChem (CID 118807943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).