iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine

C12H10IrNO- — CID 59865387

IUPACiridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
SMILESCOc1cc[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C12H10NO.Ir/c1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12;/h2-4,6-9H,1H3;/q-1;
InChIKeyYKKUSFQTIKJWSK-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.55
Rot. Bonds2

About iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine

iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine (PubChem CID 59865387) has the molecular formula C12H10IrNO- and a molecular weight of 376.44 g/mol. Its IUPAC name is iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
PubChem CID59865387
Molecular FormulaC12H10IrNO-
Molecular Weight376.44 g/mol
Exact Mass377.04
IUPAC Nameiridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
SMILESCOc1cc[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C12H10NO.Ir/c1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12;/h2-4,6-9H,1H3;/q-1;
InChIKeyYKKUSFQTIKJWSK-UHFFFAOYSA-N
XLogP2.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.55
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

osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)
CID 176846202
CID 59865384
CID 59865384
bis(iridium);isoquinoline-3-carboxylic acid;2-(3-methoxybenzene-6-id-1-yl)pyridine;2-phenylpyridine;quinoline-8-carboxylic acid
CID 161173840
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
CID 58162023
iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
CID 59782033
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
CID 166502338
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
iridium(3+);bis(3-pyridin-2-ylbenzene-4-id-1-ol);(3-pyridin-2-ylbenzene-4-id-1-yl) 2-methylprop-2-enoate
CID 58914266
anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157414617
N,N-bis(3-methylphenyl)-3-pyridin-2-ylbenzene-4-id-1-amine;iridium
CID 21042165

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine?
The IUPAC name of iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine (CID 59865387) is iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine.
What is the SMILES notation for iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine?
The canonical SMILES for iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine is COc1cc[c-]c(-c2ccccn2)c1.[Ir].
What is the InChIKey of iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine?
The InChIKey is YKKUSFQTIKJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO.Ir/c1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12;/h2-4,6-9H,1H3;/q-1;.
What are the key properties of iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine?
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine has a molecular weight of 376.44 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 59865387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).