2-(2-bromopropyl)-6-methyl-3-nitropyridine

C9H11BrN2O2 — CID 81137414

IUPAC2-(2-bromopropyl)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(CC(C)Br)n1
InChIInChI=1S/C9H11BrN2O2/c1-6(10)5-8-9(12(13)14)4-3-7(2)11-8/h3-4,6H,5H2,1-2H3
InChIKeyCMYCUQLHCWNDHZ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-bromopropyl)-6-methyl-3-nitropyridine

2-(2-bromopropyl)-6-methyl-3-nitropyridine (PubChem CID 81137414) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(2-bromopropyl)-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(2-bromopropyl)-6-methyl-3-nitropyridine
PubChem CID81137414
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(2-bromopropyl)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(CC(C)Br)n1
InChIInChI=1S/C9H11BrN2O2/c1-6(10)5-8-9(12(13)14)4-3-7(2)11-8/h3-4,6H,5H2,1-2H3
InChIKeyCMYCUQLHCWNDHZ-UHFFFAOYSA-N
XLogP2.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(2-bromo-3,3-dimethylbutyl)-6-methyl-3-nitropyridine
CID 81137590
3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 81137677
2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
CID 81137768
2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
CID 115323531
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
CID 81137320
2-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 115715221
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
5-(2-bromopropyl)-8-nitroisoquinoline
CID 63202876
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
CID 81137765

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropyl)-6-methyl-3-nitropyridine?
The IUPAC name of 2-(2-bromopropyl)-6-methyl-3-nitropyridine (CID 81137414) is 2-(2-bromopropyl)-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-(2-bromopropyl)-6-methyl-3-nitropyridine?
The canonical SMILES for 2-(2-bromopropyl)-6-methyl-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(CC(C)Br)n1.
What is the InChIKey of 2-(2-bromopropyl)-6-methyl-3-nitropyridine?
The InChIKey is CMYCUQLHCWNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(10)5-8-9(12(13)14)4-3-7(2)11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-(2-bromopropyl)-6-methyl-3-nitropyridine?
2-(2-bromopropyl)-6-methyl-3-nitropyridine has a molecular weight of 259.10 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropyl)-6-methyl-3-nitropyridine is sourced from PubChem (CID 81137414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).