N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

C11H15BrN2O — CID 54757640

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ccc(Br)c(C)n1
InChIInChI=1S/C11H15BrN2O/c1-7(2)9(4)14(15)11-6-5-10(12)8(3)13-11/h5-6,9,15H,1H2,2-4H3
InChIKeyNDPFJTOAVFHUPK-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.31
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (PubChem CID 54757640) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
PubChem CID54757640
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1ccc(Br)c(C)n1
InChIInChI=1S/C11H15BrN2O/c1-7(2)9(4)14(15)11-6-5-10(12)8(3)13-11/h5-6,9,15H,1H2,2-4H3
InChIKeyNDPFJTOAVFHUPK-UHFFFAOYSA-N
XLogP3.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.31
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (CID 54757640) is N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is C=C(C)C(C)N(O)c1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The InChIKey is NDPFJTOAVFHUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7(2)9(4)14(15)11-6-5-10(12)8(3)13-11/h5-6,9,15H,1H2,2-4H3.
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine has a molecular weight of 271.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is sourced from PubChem (CID 54757640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).