carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine

C10H9IrNS-2 — CID 23526386

IUPACcarbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine
SMILES[CH3-].[Ir].[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C9H6NS.CH3.Ir/c1-2-6-10-8(4-1)9-5-3-7-11-9;;/h1-4,6-7H;1H3;/q2*-1;
InChIKeySBYGJCINIWJPBG-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.06
Rot. Bonds1

About carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine

carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 23526386) has the molecular formula C10H9IrNS-2 and a molecular weight of 367.47 g/mol. Its IUPAC name is carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Namecarbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID23526386
Molecular FormulaC10H9IrNS-2
Molecular Weight367.47 g/mol
Exact Mass368.01
IUPAC Namecarbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine
SMILES[CH3-].[Ir].[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C9H6NS.CH3.Ir/c1-2-6-10-8(4-1)9-5-3-7-11-9;;/h1-4,6-7H;1H3;/q2*-1;
InChIKeySBYGJCINIWJPBG-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine (CID 23526386) is carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine is [CH3-].[Ir].[c-]1ccsc1-c1ccccn1.
What is the InChIKey of carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is SBYGJCINIWJPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NS.CH3.Ir/c1-2-6-10-8(4-1)9-5-3-7-11-9;;/h1-4,6-7H;1H3;/q2*-1;.
What are the key properties of carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine?
carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 367.47 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 23526386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).