2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine

C11H15BrN2O3 — CID 115323531

IUPAC2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(CC(Br)C(C)C)n1
InChIInChI=1S/C11H15BrN2O3/c1-7(2)8(12)6-9-10(14(15)16)4-5-11(13-9)17-3/h4-5,7-8H,6H2,1-3H3
InChIKeyOUBLOFIFEFPDLN-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine

2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine (PubChem CID 115323531) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
PubChem CID115323531
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(CC(Br)C(C)C)n1
InChIInChI=1S/C11H15BrN2O3/c1-7(2)8(12)6-9-10(14(15)16)4-5-11(13-9)17-3/h4-5,7-8H,6H2,1-3H3
InChIKeyOUBLOFIFEFPDLN-UHFFFAOYSA-N
XLogP2.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
CID 115323510
1-(6-methoxy-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 115323472
methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
CID 12036409
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
2-(2-bromopropyl)-6-methyl-3-nitropyridine
CID 81137414
1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one
CID 115323440
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
CID 157299402
CID 157299402
2-(2-bromo-3,3-dimethylbutyl)-6-methyl-3-nitropyridine
CID 81137590
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine?
The IUPAC name of 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine (CID 115323531) is 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine.
What is the SMILES notation for 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine?
The canonical SMILES for 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine is COc1ccc([N+](=O)[O-])c(CC(Br)C(C)C)n1.
What is the InChIKey of 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine?
The InChIKey is OUBLOFIFEFPDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-7(2)8(12)6-9-10(14(15)16)4-5-11(13-9)17-3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine?
2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine has a molecular weight of 303.16 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine is sourced from PubChem (CID 115323531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).