2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride

C13H11Cl3N7O4V-3 — CID 173244562

IUPAC2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride
SMILESCn1c([N+](=O)[O-])cnc1-c1cccc(-c2ncc([N+](=O)[O-])n2C)n1.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C13H11N7O4.3ClH.V/c1-17-10(19(21)22)6-14-12(17)8-4-3-5-9(16-8)13-15-7-11(18(13)2)20(23)24;;;;/h3-7H,1-2H3;3*1H;/p-3
InChIKeyPVWIJGDFUUIBJO-UHFFFAOYSA-K
MW486.58 g/mol
LogP-7.29
Rot. Bonds4

About 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride

2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride (PubChem CID 173244562) has the molecular formula C13H11Cl3N7O4V-3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride.

Molecular Properties

Compound Name2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride
PubChem CID173244562
Molecular FormulaC13H11Cl3N7O4V-3
Molecular Weight486.58 g/mol
Exact Mass484.94
IUPAC Name2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride
SMILESCn1c([N+](=O)[O-])cnc1-c1cccc(-c2ncc([N+](=O)[O-])n2C)n1.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C13H11N7O4.3ClH.V/c1-17-10(19(21)22)6-14-12(17)8-4-3-5-9(16-8)13-15-7-11(18(13)2)20(23)24;;;;/h3-7H,1-2H3;3*1H;/p-3
InChIKeyPVWIJGDFUUIBJO-UHFFFAOYSA-K
XLogP-7.29
TPSA134.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 5-7.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride?
The IUPAC name of 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride (CID 173244562) is 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride.
What is the SMILES notation for 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride?
The canonical SMILES for 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride is Cn1c([N+](=O)[O-])cnc1-c1cccc(-c2ncc([N+](=O)[O-])n2C)n1.[Cl-].[Cl-].[Cl-].[V].
What is the InChIKey of 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride?
The InChIKey is PVWIJGDFUUIBJO-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H11N7O4.3ClH.V/c1-17-10(19(21)22)6-14-12(17)8-4-3-5-9(16-8)13-15-7-11(18(13)2)20(23)24;;;;/h3-7H,1-2H3;3*1H;/p-3.
What are the key properties of 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride?
2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride has a molecular weight of 486.58 g/mol, XLogP of -7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride is sourced from PubChem (CID 173244562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).