2-(2-chlorophenyl)-4-methyl-5-nitropyridine

C12H9ClN2O2 — CID 166436309

IUPAC2-(2-chlorophenyl)-4-methyl-5-nitropyridine
SMILESCc1cc(-c2ccccc2Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN2O2/c1-8-6-11(14-7-12(8)15(16)17)9-4-2-3-5-10(9)13/h2-7H,1H3
InChIKeyBRLZTODDVUNJEA-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.62
Rot. Bonds2

About 2-(2-chlorophenyl)-4-methyl-5-nitropyridine

2-(2-chlorophenyl)-4-methyl-5-nitropyridine (PubChem CID 166436309) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-5-nitropyridine
PubChem CID166436309
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name2-(2-chlorophenyl)-4-methyl-5-nitropyridine
SMILESCc1cc(-c2ccccc2Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN2O2/c1-8-6-11(14-7-12(8)15(16)17)9-4-2-3-5-10(9)13/h2-7H,1H3
InChIKeyBRLZTODDVUNJEA-UHFFFAOYSA-N
XLogP3.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.62
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-(2-chlorophenyl)-4-methyl-5-nitropyridine 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-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
CID 170837722
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline
CID 15035210
4-(2-chlorophenyl)-6-methyl-3-nitroquinoline
CID 15035197
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133329622
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
1,2-dichlorobenzene;nitromethane
CID 174874189

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-5-nitropyridine?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-5-nitropyridine (CID 166436309) is 2-(2-chlorophenyl)-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-5-nitropyridine?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-5-nitropyridine is Cc1cc(-c2ccccc2Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-5-nitropyridine?
The InChIKey is BRLZTODDVUNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-8-6-11(14-7-12(8)15(16)17)9-4-2-3-5-10(9)13/h2-7H,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-methyl-5-nitropyridine?
2-(2-chlorophenyl)-4-methyl-5-nitropyridine has a molecular weight of 248.67 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-5-nitropyridine is sourced from PubChem (CID 166436309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).