O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine

C9H10ClN3O — CID 117302285

IUPACO-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
SMILESNOCCc1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C9H10ClN3O/c10-9-8-6(4-5-14-11)2-1-3-7(8)12-13-9/h1-3H,4-5,11H2,(H,12,13)
InChIKeyLQQUDXNNKGVJID-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.65
Rot. Bonds3

About O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine

O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine (PubChem CID 117302285) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
PubChem CID117302285
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC NameO-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
SMILESNOCCc1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C9H10ClN3O/c10-9-8-6(4-5-14-11)2-1-3-7(8)12-13-9/h1-3H,4-5,11H2,(H,12,13)
InChIKeyLQQUDXNNKGVJID-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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Related Compounds

4-(3-chloro-2H-indazol-4-yl)butan-1-amine
CID 117321071
1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine
CID 105497327
O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine
CID 117302286
2-(3-fluoro-2H-indazol-4-yl)ethanamine
CID 134477543
O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117322623
2-(3-bromo-2H-indazol-4-yl)ethanol
CID 117354283
[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine
CID 105468291
2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid
CID 117322500
2-(3-chloro-2H-indazol-4-yl)-2-oxoacetaldehyde
CID 141071344
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine
CID 117293702
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine (CID 117302285) is O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine is NOCCc1cccc2n[nH]c(Cl)c12.
What is the InChIKey of O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine?
The InChIKey is LQQUDXNNKGVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-9-8-6(4-5-14-11)2-1-3-7(8)12-13-9/h1-3H,4-5,11H2,(H,12,13).
What are the key properties of O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine?
O-[2-(3-chloro-2H-indazol-4-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-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117302285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).