2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine

C12H11N4+ — CID 102489992

IUPAC2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine
SMILESCN1C=CC=CC1=C1C=CC=CC1=N[N+]#N
InChIInChI=1S/C12H11N4/c1-16-9-5-4-8-12(16)10-6-2-3-7-11(10)14-15-13/h2-9H,1H3/q+1
InChIKeyVBIIDIGWCKQCTD-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.59
Rot. Bonds

About 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine

2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine (PubChem CID 102489992) has the molecular formula C12H11N4+ and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine.

Molecular Properties

Compound Name2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine
PubChem CID102489992
Molecular FormulaC12H11N4+
Molecular Weight211.25 g/mol
Exact Mass211.10
IUPAC Name2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine
SMILESCN1C=CC=CC1=C1C=CC=CC1=N[N+]#N
InChIInChI=1S/C12H11N4/c1-16-9-5-4-8-12(16)10-6-2-3-7-11(10)14-15-13/h2-9H,1H3/q+1
InChIKeyVBIIDIGWCKQCTD-UHFFFAOYSA-N
XLogP2.59
TPSA43.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine?
The IUPAC name of 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine (CID 102489992) is 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine.
What is the SMILES notation for 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine?
The canonical SMILES for 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine is CN1C=CC=CC1=C1C=CC=CC1=N[N+]#N.
What is the InChIKey of 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine?
The InChIKey is VBIIDIGWCKQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N4/c1-16-9-5-4-8-12(16)10-6-2-3-7-11(10)14-15-13/h2-9H,1H3/q+1.
What are the key properties of 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine?
2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine has a molecular weight of 211.25 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine is sourced from PubChem (CID 102489992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).