3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine

C12H8BrClFN — CID 174161537

IUPAC3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine
SMILESCc1c(Br)cncc1-c1ccc(Cl)cc1F
InChIInChI=1S/C12H8BrClFN/c1-7-10(5-16-6-11(7)13)9-3-2-8(14)4-12(9)15/h2-6H,1H3
InChIKeyRLNGLBVFDYFCQD-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.61
Rot. Bonds1

About 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine

3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine (PubChem CID 174161537) has the molecular formula C12H8BrClFN and a molecular weight of 300.56 g/mol. Its IUPAC name is 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine
PubChem CID174161537
Molecular FormulaC12H8BrClFN
Molecular Weight300.56 g/mol
Exact Mass298.95
IUPAC Name3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine
SMILESCc1c(Br)cncc1-c1ccc(Cl)cc1F
InChIInChI=1S/C12H8BrClFN/c1-7-10(5-16-6-11(7)13)9-3-2-8(14)4-12(9)15/h2-6H,1H3
InChIKeyRLNGLBVFDYFCQD-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine 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

4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-5-phenylpyridine
CID 2762868
3-Bromo-5-phenylpyridine
CID 2762904
4-(4-Chlorostyryl)pyridine
CID 735607
5-Bromo-2-chloro-3-methylpyridine
CID 285434
4-Bromo-1-chloroisoquinoline
CID 459766
4-(4-Bromophenyl)pyridine
CID 616283
3-Bromo-4-phenylpyridine
CID 2762928
3-[Bis-(4-chloro-phenyl)-fluoro-methyl]-pyridine
CID 44356402
4-(4-Chlorophenyl)-1-methylpyridin-1-ium iodide
CID 24799631
4-(4-Chlorophenyl)-2-methylpyridine
CID 12367074
4-(3-Bromophenyl)pyridine
CID 13150402

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine?
The IUPAC name of 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine (CID 174161537) is 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine is Cc1c(Br)cncc1-c1ccc(Cl)cc1F.
What is the InChIKey of 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine?
The InChIKey is RLNGLBVFDYFCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN/c1-7-10(5-16-6-11(7)13)9-3-2-8(14)4-12(9)15/h2-6H,1H3.
What are the key properties of 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine?
3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine has a molecular weight of 300.56 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-chloro-2-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 174161537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).