N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

C10H13BrN2O — CID 54757538

IUPACN-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O/c1-7(2)8(3)13(14)10-5-4-9(11)6-12-10/h4-6,8,14H,1H2,2-3H3
InChIKeyOWVQKBQXFRQXKA-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.00
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (PubChem CID 54757538) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
PubChem CID54757538
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O/c1-7(2)8(3)13(14)10-5-4-9(11)6-12-10/h4-6,8,14H,1H2,2-3H3
InChIKeyOWVQKBQXFRQXKA-UHFFFAOYSA-N
XLogP3.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (CID 54757538) is N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is C=C(C)C(C)N(O)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The InChIKey is OWVQKBQXFRQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7(2)8(3)13(14)10-5-4-9(11)6-12-10/h4-6,8,14H,1H2,2-3H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine has a molecular weight of 257.13 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is sourced from PubChem (CID 54757538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).