2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide

C14H12Br3NO — CID 44890736

IUPAC2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide
SMILESBr.Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)CBr
InChIInChI=1S/C14H11Br2NO.BrH/c1-9-12(14(18)8-15)6-7-13(17-9)10-2-4-11(16)5-3-10;/h2-7H,8H2,1H3;1H
InChIKeyLVZLEDXHLJCNDQ-UHFFFAOYSA-N
MW449.97 g/mol
LogP4.98
Rot. Bonds3

About 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide

2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide (PubChem CID 44890736) has the molecular formula C14H12Br3NO and a molecular weight of 449.97 g/mol. Its IUPAC name is 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide
PubChem CID44890736
Molecular FormulaC14H12Br3NO
Molecular Weight449.97 g/mol
Exact Mass446.85
IUPAC Name2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide
SMILESBr.Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)CBr
InChIInChI=1S/C14H11Br2NO.BrH/c1-9-12(14(18)8-15)6-7-13(17-9)10-2-4-11(16)5-3-10;/h2-7H,8H2,1H3;1H
InChIKeyLVZLEDXHLJCNDQ-UHFFFAOYSA-N
XLogP4.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.97
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide 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-bromo-1-[6-[4-(4-bromophenoxy)phenyl]-2-methyl-3-pyridinyl]ethanone
CID 91871566
2-bromo-1-[2-methyl-6-[4-(4-methylphenoxy)phenyl]-3-pyridinyl]ethanone
CID 91871576
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
CID 82452729
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024
[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452734
6-(4-chlorophenyl)-2-methylpyridine-3-carbohydrazide
CID 53433276
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 155810331
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
sodium 6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylate
CID 155928034
2-bromo-1-(4-bromo-2-hydroxyphenyl)ethanone
CID 91882526

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide?
The IUPAC name of 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide (CID 44890736) is 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide is Br.Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)CBr.
What is the InChIKey of 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide?
The InChIKey is LVZLEDXHLJCNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO.BrH/c1-9-12(14(18)8-15)6-7-13(17-9)10-2-4-11(16)5-3-10;/h2-7H,8H2,1H3;1H.
What are the key properties of 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide?
2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide has a molecular weight of 449.97 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide is sourced from PubChem (CID 44890736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).