N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine

C8H8ClN3O — CID 117287420

IUPACN-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine
SMILESONCc1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C8H8ClN3O/c9-8-6-2-1-5(4-10-13)3-7(6)11-12-8/h1-3,10,13H,4H2,(H,11,12)
InChIKeyLBWFGNNGRFRWDM-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.70
Rot. Bonds2

About N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine

N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine (PubChem CID 117287420) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine
PubChem CID117287420
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC NameN-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine
SMILESONCc1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C8H8ClN3O/c9-8-6-2-1-5(4-10-13)3-7(6)11-12-8/h1-3,10,13H,4H2,(H,11,12)
InChIKeyLBWFGNNGRFRWDM-UHFFFAOYSA-N
XLogP1.70
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.70
H-Bond Donors ≤ 53
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 N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine?
The IUPAC name of N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine (CID 117287420) is N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine is ONCc1ccc2c(Cl)[nH]nc2c1.
What is the InChIKey of N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine?
The InChIKey is LBWFGNNGRFRWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-8-6-2-1-5(4-10-13)3-7(6)11-12-8/h1-3,10,13H,4H2,(H,11,12).
What are the key properties of N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine?
N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine has a molecular weight of 197.62 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine is sourced from PubChem (CID 117287420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).