2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium

C13H10IrN- — CID 87688961

IUPAC2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium
SMILESC=Cc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C13H10N.Ir/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13;/h2-8,10H,1H2;/q-1;
InChIKeyZSRRCKMQMWAKGI-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium

2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium (PubChem CID 87688961) has the molecular formula C13H10IrN- and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium.

Molecular Properties

Compound Name2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium
PubChem CID87688961
Molecular FormulaC13H10IrN-
Molecular Weight372.45 g/mol
Exact Mass373.04
IUPAC Name2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium
SMILESC=Cc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C13H10N.Ir/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13;/h2-8,10H,1H2;/q-1;
InChIKeyZSRRCKMQMWAKGI-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium;2-(4-methylbenzene-6-id-1-yl)pyridine
CID 59307411
bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939535
iridium;tris(2-phenylpyridine)
CID 23386734
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
CID 23531572
2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)
CID 158242903
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
4-tert-butyl-2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4-tert-butyl-2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium
CID 59439796
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
10H-benzo[h]quinolin-10-ide;1-(4-ethenylbenzene-6-id-1-yl)isoquinoline;iridium
CID 59523930
bis(N-(4-ethenylphenyl)-N-(3-pyridin-2-ylbenzene-4-id-1-yl)naphthalen-1-amine);iridium(3+);2-phenylpyridine
CID 58225126
4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylphenyl)phenyl]aniline;iridium;2-phenylpyridine
CID 58225145
chlorozinc(1+);2-phenylpyridine
CID 59773311

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium?
The IUPAC name of 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium (CID 87688961) is 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium.
What is the SMILES notation for 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium?
The canonical SMILES for 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium is C=Cc1c[c-]c(-c2ccccn2)cc1.[Ir].
What is the InChIKey of 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium?
The InChIKey is ZSRRCKMQMWAKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N.Ir/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13;/h2-8,10H,1H2;/q-1;.
What are the key properties of 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium?
2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium has a molecular weight of 372.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium is sourced from PubChem (CID 87688961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).