2-(bromomethyl)-6-chloro-4-phenylpyridine

C12H9BrClN — CID 131589786

IUPAC2-(bromomethyl)-6-chloro-4-phenylpyridine
SMILESClc1cc(-c2ccccc2)cc(CBr)n1
InChIInChI=1S/C12H9BrClN/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyDEOJJNCUZVUHAA-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.30
Rot. Bonds2

About 2-(bromomethyl)-6-chloro-4-phenylpyridine

2-(bromomethyl)-6-chloro-4-phenylpyridine (PubChem CID 131589786) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 2-(bromomethyl)-6-chloro-4-phenylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-chloro-4-phenylpyridine
PubChem CID131589786
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name2-(bromomethyl)-6-chloro-4-phenylpyridine
SMILESClc1cc(-c2ccccc2)cc(CBr)n1
InChIInChI=1S/C12H9BrClN/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyDEOJJNCUZVUHAA-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.30
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'}

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Related Compounds

2-chloro-6-fluoro-4-phenylpyridine
CID 118994306
2-(bromomethyl)-6-phenylpyridin-4-amine
CID 131464961
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
6-benzyl-4-phenylpyridin-2-amine
CID 68980923
ethane;1,3,5-triphenylbenzene
CID 142123051
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
1,1'-biphenyl;bromomethylbenzene
CID 18398670
3-(bromomethyl)-5-phenyl-1,2-thiazole
CID 166103637
ethane;2,4,6-trichloro-3-phenylpyridine
CID 91101159

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-chloro-4-phenylpyridine?
The IUPAC name of 2-(bromomethyl)-6-chloro-4-phenylpyridine (CID 131589786) is 2-(bromomethyl)-6-chloro-4-phenylpyridine.
What is the SMILES notation for 2-(bromomethyl)-6-chloro-4-phenylpyridine?
The canonical SMILES for 2-(bromomethyl)-6-chloro-4-phenylpyridine is Clc1cc(-c2ccccc2)cc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-chloro-4-phenylpyridine?
The InChIKey is DEOJJNCUZVUHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-(bromomethyl)-6-chloro-4-phenylpyridine?
2-(bromomethyl)-6-chloro-4-phenylpyridine has a molecular weight of 282.57 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-chloro-4-phenylpyridine is sourced from PubChem (CID 131589786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).