O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine

C9H10ClN3O — CID 117302286

IUPACO-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine
SMILESNOCCc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C9H10ClN3O/c10-9-7-5-6(3-4-14-11)1-2-8(7)12-13-9/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyGXRFMOORJNEQMG-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.65
Rot. Bonds3

About O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine

O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine (PubChem CID 117302286) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine
PubChem CID117302286
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC NameO-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine
SMILESNOCCc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C9H10ClN3O/c10-9-7-5-6(3-4-14-11)1-2-8(7)12-13-9/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyGXRFMOORJNEQMG-UHFFFAOYSA-N
XLogP1.65
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-2H-indazol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine (CID 117302286) is O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine is NOCCc1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine?
The InChIKey is GXRFMOORJNEQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-9-7-5-6(3-4-14-11)1-2-8(7)12-13-9/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine?
O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine has a molecular weight of 211.65 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117302286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).