3-methylpyridine-4-diazonium

C6H6N3+ — CID 21048662

IUPAC3-methylpyridine-4-diazonium
SMILESCc1cnccc1[N+]#N
InChIInChI=1S/C6H6N3/c1-5-4-8-3-2-6(5)9-7/h2-4H,1H3/q+1
InChIKeyUKBQFMAQSLFOJX-UHFFFAOYSA-N
MW120.13 g/mol
LogP1.87
Rot. Bonds

About 3-methylpyridine-4-diazonium

3-methylpyridine-4-diazonium (PubChem CID 21048662) has the molecular formula C6H6N3+ and a molecular weight of 120.13 g/mol. Its IUPAC name is 3-methylpyridine-4-diazonium.

Molecular Properties

Compound Name3-methylpyridine-4-diazonium
PubChem CID21048662
Molecular FormulaC6H6N3+
Molecular Weight120.13 g/mol
Exact Mass120.06
IUPAC Name3-methylpyridine-4-diazonium
SMILESCc1cnccc1[N+]#N
InChIInChI=1S/C6H6N3/c1-5-4-8-3-2-6(5)9-7/h2-4H,1H3/q+1
InChIKeyUKBQFMAQSLFOJX-UHFFFAOYSA-N
XLogP1.87
TPSA41.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylpyridine;1,2-xylene
CID 158871716
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 130039959
bis(3-methyl-4-pyridinyl)diazene
CID 13430055
(3-methyl-4-pyridinyl)boronic acid
CID 44754762
2,5-dimethylbenzenediazonium chloride
CID 12583461
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile
CID 130544380
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine
CID 59279556
methyl formate;3-methylpyridin-4-amine
CID 160726119
3-(3-methyl-4-pyridinyl)prop-2-enenitrile
CID 169483055

Frequently Asked Questions

What is the IUPAC name of 3-methylpyridine-4-diazonium?
The IUPAC name of 3-methylpyridine-4-diazonium (CID 21048662) is 3-methylpyridine-4-diazonium.
What is the SMILES notation for 3-methylpyridine-4-diazonium?
The canonical SMILES for 3-methylpyridine-4-diazonium is Cc1cnccc1[N+]#N.
What is the InChIKey of 3-methylpyridine-4-diazonium?
The InChIKey is UKBQFMAQSLFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3/c1-5-4-8-3-2-6(5)9-7/h2-4H,1H3/q+1.
What are the key properties of 3-methylpyridine-4-diazonium?
3-methylpyridine-4-diazonium has a molecular weight of 120.13 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyridine-4-diazonium is sourced from PubChem (CID 21048662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).