2-bromo-6-ethyl-4-nitropyridine

C7H7BrN2O2 — CID 91102735

IUPAC2-bromo-6-ethyl-4-nitropyridine
SMILESCCc1cc([N+](=O)[O-])cc(Br)n1
InChIInChI=1S/C7H7BrN2O2/c1-2-5-3-6(10(11)12)4-7(8)9-5/h3-4H,2H2,1H3
InChIKeyIZRVDFKQZGMQEM-UHFFFAOYSA-N
MW231.05 g/mol
LogP2.31
Rot. Bonds2

About 2-bromo-6-ethyl-4-nitropyridine

2-bromo-6-ethyl-4-nitropyridine (PubChem CID 91102735) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 2-bromo-6-ethyl-4-nitropyridine.

Molecular Properties

Compound Name2-bromo-6-ethyl-4-nitropyridine
PubChem CID91102735
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name2-bromo-6-ethyl-4-nitropyridine
SMILESCCc1cc([N+](=O)[O-])cc(Br)n1
InChIInChI=1S/C7H7BrN2O2/c1-2-5-3-6(10(11)12)4-7(8)9-5/h3-4H,2H2,1H3
InChIKeyIZRVDFKQZGMQEM-UHFFFAOYSA-N
XLogP2.31
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-6-ethyl-4-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

methyl 2-(6-bromo-4-nitro-2-pyridinyl)acetate
CID 133097972
2-bromo-6-(difluoromethoxy)-4-nitropyridine
CID 119019004
2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine
CID 155883085
2-ethyl-5,7-dinitro-1,3-benzoxazole
CID 154087764
2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
CID 13402562
N-[(4,6-diethylpyrimidin-2-yl)carbamothioyl]-3,5-dinitrobenzamide
CID 139214285
bis(propan-1-amine);1,3,5-trinitrobenzene
CID 71444758
2,6-dibromo-4-nitro-1,3-azaborinine
CID 162468437
6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
2-hexyl-4-nitro-6-nitrosopyridine
CID 88841821
2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
CID 10883644
2-bromo-6-methyl-4-nitro-1-oxidopyridin-1-ium
CID 2751816

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-4-nitropyridine?
The IUPAC name of 2-bromo-6-ethyl-4-nitropyridine (CID 91102735) is 2-bromo-6-ethyl-4-nitropyridine.
What is the SMILES notation for 2-bromo-6-ethyl-4-nitropyridine?
The canonical SMILES for 2-bromo-6-ethyl-4-nitropyridine is CCc1cc([N+](=O)[O-])cc(Br)n1.
What is the InChIKey of 2-bromo-6-ethyl-4-nitropyridine?
The InChIKey is IZRVDFKQZGMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-2-5-3-6(10(11)12)4-7(8)9-5/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-6-ethyl-4-nitropyridine?
2-bromo-6-ethyl-4-nitropyridine has a molecular weight of 231.05 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-4-nitropyridine is sourced from PubChem (CID 91102735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).