N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine

C13H10N2OS — CID 54560399

IUPACN-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine
SMILESON(c1cccnc1)c1ccc2ccsc2c1
InChIInChI=1S/C13H10N2OS/c16-15(12-2-1-6-14-9-12)11-4-3-10-5-7-17-13(10)8-11/h1-9,16H
InChIKeyZQDLHXPLISNQME-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.82
Rot. Bonds2

About N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine

N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine (PubChem CID 54560399) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine.

Molecular Properties

Compound NameN-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine
PubChem CID54560399
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC NameN-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine
SMILESON(c1cccnc1)c1ccc2ccsc2c1
InChIInChI=1S/C13H10N2OS/c16-15(12-2-1-6-14-9-12)11-4-3-10-5-7-17-13(10)8-11/h1-9,16H
InChIKeyZQDLHXPLISNQME-UHFFFAOYSA-N
XLogP3.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.82
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 N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine?
The IUPAC name of N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine (CID 54560399) is N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine.
What is the SMILES notation for N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine?
The canonical SMILES for N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine is ON(c1cccnc1)c1ccc2ccsc2c1.
What is the InChIKey of N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine?
The InChIKey is ZQDLHXPLISNQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-15(12-2-1-6-14-9-12)11-4-3-10-5-7-17-13(10)8-11/h1-9,16H.
What are the key properties of N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine?
N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine has a molecular weight of 242.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine is sourced from PubChem (CID 54560399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).