2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide

C16H13IrN8 — CID 58672264

IUPAC2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide
SMILESCn1ccnc1-c1cccc(-c2nccn2C)n1.[C-]#N.[C-]#N.[C-]#N.[Ir+3]
InChIInChI=1S/C13H13N5.3CN.Ir/c1-17-8-6-14-12(17)10-4-3-5-11(16-10)13-15-7-9-18(13)2;3*1-2;/h3-9H,1-2H3;;;;/q;3*-1;+3
InChIKeyPBECJQBBLMEONC-UHFFFAOYSA-N
MW509.55 g/mol
LogP2.17
Rot. Bonds2

About 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide

2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide (PubChem CID 58672264) has the molecular formula C16H13IrN8 and a molecular weight of 509.55 g/mol. Its IUPAC name is 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide.

Molecular Properties

Compound Name2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide
PubChem CID58672264
Molecular FormulaC16H13IrN8
Molecular Weight509.55 g/mol
Exact Mass510.09
IUPAC Name2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide
SMILESCn1ccnc1-c1cccc(-c2nccn2C)n1.[C-]#N.[C-]#N.[C-]#N.[Ir+3]
InChIInChI=1S/C13H13N5.3CN.Ir/c1-17-8-6-14-12(17)10-4-3-5-11(16-10)13-15-7-9-18(13)2;3*1-2;/h3-9H,1-2H3;;;;/q;3*-1;+3
InChIKeyPBECJQBBLMEONC-UHFFFAOYSA-N
XLogP2.17
TPSA119.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-2-yl)-6-(1-methylimidazol-2-yl)pyridine
CID 70653614
dichloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine)
CID 23534671
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine
CID 140804372
4-(1-methylimidazol-2-yl)pyrimidine
CID 157435351
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
ethane;1-methyl-2-phenylimidazole
CID 142155183
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
1-methyl-2-(1-methylimidazol-4-yl)imidazole
CID 15897140
2-(1-ethylimidazol-2-yl)-6-pyridin-2-ylpyridine
CID 70693432
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide?
The IUPAC name of 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide (CID 58672264) is 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide.
What is the SMILES notation for 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide?
The canonical SMILES for 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide is Cn1ccnc1-c1cccc(-c2nccn2C)n1.[C-]#N.[C-]#N.[C-]#N.[Ir+3].
What is the InChIKey of 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide?
The InChIKey is PBECJQBBLMEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5.3CN.Ir/c1-17-8-6-14-12(17)10-4-3-5-11(16-10)13-15-7-9-18(13)2;3*1-2;/h3-9H,1-2H3;;;;/q;3*-1;+3.
What are the key properties of 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide?
2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide has a molecular weight of 509.55 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide is sourced from PubChem (CID 58672264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).