5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine

C10H11BrN2O3 — CID 45158681

IUPAC5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OCC1CCC1
InChIInChI=1S/C10H11BrN2O3/c11-8-4-9(13(14)15)10(12-5-8)16-6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyIKHHQLDXOZZDCR-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.93
Rot. Bonds4

About 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine

5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine (PubChem CID 45158681) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
PubChem CID45158681
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OCC1CCC1
InChIInChI=1S/C10H11BrN2O3/c11-8-4-9(13(14)15)10(12-5-8)16-6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyIKHHQLDXOZZDCR-UHFFFAOYSA-N
XLogP2.93
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine (CID 45158681) is 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine is O=[N+]([O-])c1cc(Br)cnc1OCC1CCC1.
What is the InChIKey of 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine?
The InChIKey is IKHHQLDXOZZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-8-4-9(13(14)15)10(12-5-8)16-6-7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine?
5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine has a molecular weight of 287.11 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine is sourced from PubChem (CID 45158681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).