2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine

C24H21BrN2 — CID 175312241

IUPAC2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
SMILESBrCc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H10BrN.C12H11N/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h1-8H,9H2;2-9H,1H3
InChIKeyQVSIBFRWSCPPKV-UHFFFAOYSA-N
MW417.35 g/mol
LogP6.70
Rot. Bonds3

About 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine

2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine (PubChem CID 175312241) has the molecular formula C24H21BrN2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
PubChem CID175312241
Molecular FormulaC24H21BrN2
Molecular Weight417.35 g/mol
Exact Mass416.09
IUPAC Name2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
SMILESBrCc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H10BrN.C12H11N/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h1-8H,9H2;2-9H,1H3
InChIKeyQVSIBFRWSCPPKV-UHFFFAOYSA-N
XLogP6.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(bromomethyl)phenyl]pyridine;2-(4-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-(4-methylphenyl)pyridine;silver
CID 121395993
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane
CID 159553182
N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
CID 159589094
ethane;2-(4-propylphenyl)pyridine
CID 158701503
1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
CID 157394028
trimethyl-[2-(4-pyridin-2-ylphenyl)ethyl]silane
CID 162513339
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838
2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645
3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline
CID 174697572
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine
CID 11034223

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine?
The IUPAC name of 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine (CID 175312241) is 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine.
What is the SMILES notation for 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine?
The canonical SMILES for 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine is BrCc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine?
The InChIKey is QVSIBFRWSCPPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN.C12H11N/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h1-8H,9H2;2-9H,1H3.
What are the key properties of 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine?
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine has a molecular weight of 417.35 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine is sourced from PubChem (CID 175312241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).