O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine

C10H12BrN3O — CID 117428299

IUPACO-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine
SMILESCn1nc(Br)c2cc(CCON)ccc21
InChIInChI=1S/C10H12BrN3O/c1-14-9-3-2-7(4-5-15-12)6-8(9)10(11)13-14/h2-3,6H,4-5,12H2,1H3
InChIKeyJLBIDOTYRJWMJB-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.77
Rot. Bonds3

About O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine

O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine (PubChem CID 117428299) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine
PubChem CID117428299
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC NameO-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine
SMILESCn1nc(Br)c2cc(CCON)ccc21
InChIInChI=1S/C10H12BrN3O/c1-14-9-3-2-7(4-5-15-12)6-8(9)10(11)13-14/h2-3,6H,4-5,12H2,1H3
InChIKeyJLBIDOTYRJWMJB-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine (CID 117428299) is O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine is Cn1nc(Br)c2cc(CCON)ccc21.
What is the InChIKey of O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine?
The InChIKey is JLBIDOTYRJWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-14-9-3-2-7(4-5-15-12)6-8(9)10(11)13-14/h2-3,6H,4-5,12H2,1H3.
What are the key properties of O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine?
O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine has a molecular weight of 270.13 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-bromo-1-methylindazol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117428299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).