bromomethane;2-chloro-3-fluoro-5-methylpyridine

C7H8BrClFN — CID 143545285

IUPACbromomethane;2-chloro-3-fluoro-5-methylpyridine
SMILESCBr.Cc1cnc(Cl)c(F)c1
InChIInChI=1S/C6H5ClFN.CH3Br/c1-4-2-5(8)6(7)9-3-4;1-2/h2-3H,1H3;1H3
InChIKeyLGFGRQJHKNCGQI-UHFFFAOYSA-N
MW240.50 g/mol
LogP3.19
Rot. Bonds

About bromomethane;2-chloro-3-fluoro-5-methylpyridine

bromomethane;2-chloro-3-fluoro-5-methylpyridine (PubChem CID 143545285) has the molecular formula C7H8BrClFN and a molecular weight of 240.50 g/mol. Its IUPAC name is bromomethane;2-chloro-3-fluoro-5-methylpyridine.

Molecular Properties

Compound Namebromomethane;2-chloro-3-fluoro-5-methylpyridine
PubChem CID143545285
Molecular FormulaC7H8BrClFN
Molecular Weight240.50 g/mol
Exact Mass238.95
IUPAC Namebromomethane;2-chloro-3-fluoro-5-methylpyridine
SMILESCBr.Cc1cnc(Cl)c(F)c1
InChIInChI=1S/C6H5ClFN.CH3Br/c1-4-2-5(8)6(7)9-3-4;1-2/h2-3H,1H3;1H3
InChIKeyLGFGRQJHKNCGQI-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromomethane;2-chloro-3-fluoro-5-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 bromomethane;2-chloro-3-fluoro-5-methylpyridine?
The IUPAC name of bromomethane;2-chloro-3-fluoro-5-methylpyridine (CID 143545285) is bromomethane;2-chloro-3-fluoro-5-methylpyridine.
What is the SMILES notation for bromomethane;2-chloro-3-fluoro-5-methylpyridine?
The canonical SMILES for bromomethane;2-chloro-3-fluoro-5-methylpyridine is CBr.Cc1cnc(Cl)c(F)c1.
What is the InChIKey of bromomethane;2-chloro-3-fluoro-5-methylpyridine?
The InChIKey is LGFGRQJHKNCGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFN.CH3Br/c1-4-2-5(8)6(7)9-3-4;1-2/h2-3H,1H3;1H3.
What are the key properties of bromomethane;2-chloro-3-fluoro-5-methylpyridine?
bromomethane;2-chloro-3-fluoro-5-methylpyridine has a molecular weight of 240.50 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2-chloro-3-fluoro-5-methylpyridine is sourced from PubChem (CID 143545285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).