2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine

C10H12N3+ — CID 123148844

IUPAC2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
SMILESCc1ncccc1-n1ccc[n+]1C
InChIInChI=1S/C10H12N3/c1-9-10(5-3-6-11-9)13-8-4-7-12(13)2/h3-8H,1-2H3/q+1
InChIKeyVLGOIFAPNHGBJZ-UHFFFAOYSA-N
MW174.23 g/mol
LogP1.01
Rot. Bonds1

About 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine

2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine (PubChem CID 123148844) has the molecular formula C10H12N3+ and a molecular weight of 174.23 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
PubChem CID123148844
Molecular FormulaC10H12N3+
Molecular Weight174.23 g/mol
Exact Mass174.10
IUPAC Name2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
SMILESCc1ncccc1-n1ccc[n+]1C
InChIInChI=1S/C10H12N3/c1-9-10(5-3-6-11-9)13-8-4-7-12(13)2/h3-8H,1-2H3/q+1
InChIKeyVLGOIFAPNHGBJZ-UHFFFAOYSA-N
XLogP1.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine
CID 123392680
2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 59016991
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
1-(2-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 131184068
1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 170150348
(2R)-1-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-2,3-dimethyl-2H-imidazole;(2R)-1,2-dimethyl-3-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-2H-imidazole;ethane
CID 158909155
1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 123422045
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
CID 79043323
2-methylpyridin-3-amine;hydroiodide
CID 172837374
azane;2-methylpyridin-3-amine
CID 67996717
3-(methylamino)-1-(2-methyl-3-pyridinyl)pyridin-2-one
CID 139373468

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine?
The IUPAC name of 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine (CID 123148844) is 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine.
What is the SMILES notation for 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine?
The canonical SMILES for 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine is Cc1ncccc1-n1ccc[n+]1C.
What is the InChIKey of 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine?
The InChIKey is VLGOIFAPNHGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3/c1-9-10(5-3-6-11-9)13-8-4-7-12(13)2/h3-8H,1-2H3/q+1.
What are the key properties of 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine?
2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine has a molecular weight of 174.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine is sourced from PubChem (CID 123148844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).