hydron;methyl(pyridin-2-ylmethylidene)azanium

C7H10N2+2 — CID 101117397

IUPAChydron;methyl(pyridin-2-ylmethylidene)azanium
SMILESC/[NH+]=C/c1ccccn1.[H+]
InChIInChI=1S/C7H8N2/c1-8-6-7-4-2-3-5-9-7/h2-6H,1H3/p+2/b8-6+
InChIKeyRKBLQRJXXOWNDA-SOFGYWHQSA-P
MW122.17 g/mol
LogP-0.68
Rot. Bonds1

About hydron;methyl(pyridin-2-ylmethylidene)azanium

hydron;methyl(pyridin-2-ylmethylidene)azanium (PubChem CID 101117397) has the molecular formula C7H10N2+2 and a molecular weight of 122.17 g/mol. Its IUPAC name is hydron;methyl(pyridin-2-ylmethylidene)azanium.

Molecular Properties

Compound Namehydron;methyl(pyridin-2-ylmethylidene)azanium
PubChem CID101117397
Molecular FormulaC7H10N2+2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namehydron;methyl(pyridin-2-ylmethylidene)azanium
SMILESC/[NH+]=C/c1ccccn1.[H+]
InChIInChI=1S/C7H8N2/c1-8-6-7-4-2-3-5-9-7/h2-6H,1H3/p+2/b8-6+
InChIKeyRKBLQRJXXOWNDA-SOFGYWHQSA-P
XLogP-0.68
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Pyridine
CID 1049
4-Aminopyridine
CID 1727
Ethionamide
CID 2761171
3-Methylpyridine
CID 7970
2,2'-Bipyridine
CID 1474
Prothionamide
CID 666418
Pralidoxime Chloride
CID 135445761
2,6-Lutidine
CID 7937
2-Methylpyridine
CID 7975
Myosmine
CID 442649
2-Vinylpyridine
CID 7521
Betahistine
CID 2366

Frequently Asked Questions

What is the IUPAC name of hydron;methyl(pyridin-2-ylmethylidene)azanium?
The IUPAC name of hydron;methyl(pyridin-2-ylmethylidene)azanium (CID 101117397) is hydron;methyl(pyridin-2-ylmethylidene)azanium.
What is the SMILES notation for hydron;methyl(pyridin-2-ylmethylidene)azanium?
The canonical SMILES for hydron;methyl(pyridin-2-ylmethylidene)azanium is C/[NH+]=C/c1ccccn1.[H+].
What is the InChIKey of hydron;methyl(pyridin-2-ylmethylidene)azanium?
The InChIKey is RKBLQRJXXOWNDA-SOFGYWHQSA-P. The full InChI is InChI=1S/C7H8N2/c1-8-6-7-4-2-3-5-9-7/h2-6H,1H3/p+2/b8-6+.
What are the key properties of hydron;methyl(pyridin-2-ylmethylidene)azanium?
hydron;methyl(pyridin-2-ylmethylidene)azanium has a molecular weight of 122.17 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methyl(pyridin-2-ylmethylidene)azanium is sourced from PubChem (CID 101117397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).