2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride

C26H29Cl3N10Os-3 — CID 160998922

IUPAC2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride
SMILESCn1cc[c-]c1-c1nccn1C.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1nccn1C.[Cl-].[Cl-].[Cl-].[Os+]
InChIInChI=1S/C9H10N3.C9H9N3.C8H10N4.3ClH.Os/c1-11-6-3-4-8(11)9-10-5-7-12(9)2;1-12-7-6-11-9(12)8-4-2-3-5-10-8;1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h3,5-7H,1-2H3;2-7H,1H3;3-6H,1-2H3;3*1H;/q-1;;;;;;+1/p-3
InChIKeySYYVZYNKKPMNTP-UHFFFAOYSA-K
MW778.18 g/mol
LogP-5.46
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride

2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride (PubChem CID 160998922) has the molecular formula C26H29Cl3N10Os-3 and a molecular weight of 778.18 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride
PubChem CID160998922
Molecular FormulaC26H29Cl3N10Os-3
Molecular Weight778.18 g/mol
Exact Mass778.13
IUPAC Name2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride
SMILESCn1cc[c-]c1-c1nccn1C.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1nccn1C.[Cl-].[Cl-].[Cl-].[Os+]
InChIInChI=1S/C9H10N3.C9H9N3.C8H10N4.3ClH.Os/c1-11-6-3-4-8(11)9-10-5-7-12(9)2;1-12-7-6-11-9(12)8-4-2-3-5-10-8;1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h3,5-7H,1-2H3;2-7H,1H3;3-6H,1-2H3;3*1H;/q-1;;;;;;+1/p-3
InChIKeySYYVZYNKKPMNTP-UHFFFAOYSA-K
XLogP-5.46
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms40
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500778.18
LogP ≤ 5-5.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride (CID 160998922) is 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride is Cn1cc[c-]c1-c1nccn1C.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1nccn1C.[Cl-].[Cl-].[Cl-].[Os+].
What is the InChIKey of 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride?
The InChIKey is SYYVZYNKKPMNTP-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H10N3.C9H9N3.C8H10N4.3ClH.Os/c1-11-6-3-4-8(11)9-10-5-7-12(9)2;1-12-7-6-11-9(12)8-4-2-3-5-10-8;1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h3,5-7H,1-2H3;2-7H,1H3;3-6H,1-2H3;3*1H;/q-1;;;;;;+1/p-3.
What are the key properties of 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride?
2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride has a molecular weight of 778.18 g/mol, XLogP of -5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride is sourced from PubChem (CID 160998922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).