2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine

C12H8Cl2FN — CID 125484786

IUPAC2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine
SMILESCc1cccc(-c2cc(Cl)nc(Cl)c2)c1F
InChIInChI=1S/C12H8Cl2FN/c1-7-3-2-4-9(12(7)15)8-5-10(13)16-11(14)6-8/h2-6H,1H3
InChIKeyWELAMGNCBOVNBN-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.50
Rot. Bonds1

About 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine

2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine (PubChem CID 125484786) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine
PubChem CID125484786
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine
SMILESCc1cccc(-c2cc(Cl)nc(Cl)c2)c1F
InChIInChI=1S/C12H8Cl2FN/c1-7-3-2-4-9(12(7)15)8-5-10(13)16-11(14)6-8/h2-6H,1H3
InChIKeyWELAMGNCBOVNBN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
2-(2-fluoro-3-methylphenyl)naphthalene
CID 167454716
4-(2-fluoro-3-methylphenyl)aniline
CID 83394762
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
CID 22599696
4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine
CID 83240116
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470
4-(2-fluoro-3-methylphenyl)-2-methoxypyridine
CID 178155180
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
CID 174110855
CID 174110855
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
1-(2-bromophenyl)-2-fluoro-3-methylbenzene
CID 151989119

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine?
The IUPAC name of 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine (CID 125484786) is 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine is Cc1cccc(-c2cc(Cl)nc(Cl)c2)c1F.
What is the InChIKey of 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine?
The InChIKey is WELAMGNCBOVNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c1-7-3-2-4-9(12(7)15)8-5-10(13)16-11(14)6-8/h2-6H,1H3.
What are the key properties of 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine?
2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine 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 2,6-dichloro-4-(2-fluoro-3-methylphenyl)pyridine is sourced from PubChem (CID 125484786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).