2-[(5-bromo-2-nitrophenyl)methyl]pyridine

C12H9BrN2O2 — CID 158574043

IUPAC2-[(5-bromo-2-nitrophenyl)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Br)cc1Cc1ccccn1
InChIInChI=1S/C12H9BrN2O2/c13-10-4-5-12(15(16)17)9(7-10)8-11-3-1-2-6-14-11/h1-7H,8H2
InChIKeyFIQNZKXFHQWVJU-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.34
Rot. Bonds3

About 2-[(5-bromo-2-nitrophenyl)methyl]pyridine

2-[(5-bromo-2-nitrophenyl)methyl]pyridine (PubChem CID 158574043) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-nitrophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(5-bromo-2-nitrophenyl)methyl]pyridine
PubChem CID158574043
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name2-[(5-bromo-2-nitrophenyl)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Br)cc1Cc1ccccn1
InChIInChI=1S/C12H9BrN2O2/c13-10-4-5-12(15(16)17)9(7-10)8-11-3-1-2-6-14-11/h1-7H,8H2
InChIKeyFIQNZKXFHQWVJU-UHFFFAOYSA-N
XLogP3.34
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-bromo-2-nitrophenyl)methyl]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-[(5-chloro-2-nitrophenyl)methyl]pyridine
CID 67148374
2-[(2,5-dibromophenyl)methyl]pyridine
CID 152592828
4-bromo-1-nitro-2-(2-phenylethyl)benzene
CID 58425619
3-(5-bromo-2-nitrophenyl)propanenitrile
CID 130898075
4-bromo-2-(3-methylbutyl)-1-nitrobenzene
CID 58195289
2-[2-[5-(bromomethyl)-2-nitrophenoxy]ethyl]pyridine
CID 62116788
[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanamine
CID 60877744
4-bromo-2-(2-chloro-2-phenylethyl)-1-nitrobenzene
CID 65342405
2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63063473
1-[5-bromo-3-nitro-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 116542161
4-bromo-1-[(4-bromo-2-nitrophenyl)methylsulfanylmethyl]-2-nitrobenzene
CID 87537802
4-bromo-2-(3-methoxypropyl)-1-nitrobenzene
CID 158957657

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-nitrophenyl)methyl]pyridine?
The IUPAC name of 2-[(5-bromo-2-nitrophenyl)methyl]pyridine (CID 158574043) is 2-[(5-bromo-2-nitrophenyl)methyl]pyridine.
What is the SMILES notation for 2-[(5-bromo-2-nitrophenyl)methyl]pyridine?
The canonical SMILES for 2-[(5-bromo-2-nitrophenyl)methyl]pyridine is O=[N+]([O-])c1ccc(Br)cc1Cc1ccccn1.
What is the InChIKey of 2-[(5-bromo-2-nitrophenyl)methyl]pyridine?
The InChIKey is FIQNZKXFHQWVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-10-4-5-12(15(16)17)9(7-10)8-11-3-1-2-6-14-11/h1-7H,8H2.
What are the key properties of 2-[(5-bromo-2-nitrophenyl)methyl]pyridine?
2-[(5-bromo-2-nitrophenyl)methyl]pyridine has a molecular weight of 293.12 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-nitrophenyl)methyl]pyridine is sourced from PubChem (CID 158574043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).