(NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride

C12H9ClN2OS — CID 175961765

IUPAC(NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=C\c1sccc1C#Cc1cccnc1
InChIInChI=1S/C12H8N2OS.ClH/c15-14-9-12-11(5-7-16-12)4-3-10-2-1-6-13-8-10;/h1-2,5-9,15H;1H/b14-9-;
InChIKeyRUCQJGFNNYNSRM-WQRRWHLMSA-N
MW264.74 g/mol
LogP2.77
Rot. Bonds1

About (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride

(NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride (PubChem CID 175961765) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride
PubChem CID175961765
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name(NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=C\c1sccc1C#Cc1cccnc1
InChIInChI=1S/C12H8N2OS.ClH/c15-14-9-12-11(5-7-16-12)4-3-10-2-1-6-13-8-10;/h1-2,5-9,15H;1H/b14-9-;
InChIKeyRUCQJGFNNYNSRM-WQRRWHLMSA-N
XLogP2.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride?
The IUPAC name of (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride (CID 175961765) is (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride is Cl.O/N=C\c1sccc1C#Cc1cccnc1.
What is the InChIKey of (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride?
The InChIKey is RUCQJGFNNYNSRM-WQRRWHLMSA-N. The full InChI is InChI=1S/C12H8N2OS.ClH/c15-14-9-12-11(5-7-16-12)4-3-10-2-1-6-13-8-10;/h1-2,5-9,15H;1H/b14-9-;.
What are the key properties of (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride?
(NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride has a molecular weight of 264.74 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-(2-pyridin-3-ylethynyl)thiophen-2-yl]methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 175961765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).