5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium

C13H13N4+ — CID 15083163

IUPAC5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium
SMILESCc1ccnc(-c2nc3cc[n+](C)cc3[nH]2)c1
InChIInChI=1S/C13H12N4/c1-9-3-5-14-11(7-9)13-15-10-4-6-17(2)8-12(10)16-13/h3-8H,1-2H3/p+1
InChIKeyNFDAAZCHAYLHON-UHFFFAOYSA-O
MW225.28 g/mol
LogP1.76
Rot. Bonds1

About 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium

5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 15083163) has the molecular formula C13H13N4+ and a molecular weight of 225.28 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium
PubChem CID15083163
Molecular FormulaC13H13N4+
Molecular Weight225.28 g/mol
Exact Mass225.11
IUPAC Name5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium
SMILESCc1ccnc(-c2nc3cc[n+](C)cc3[nH]2)c1
InChIInChI=1S/C13H12N4/c1-9-3-5-14-11(7-9)13-15-10-4-6-17(2)8-12(10)16-13/h3-8H,1-2H3/p+1
InChIKeyNFDAAZCHAYLHON-UHFFFAOYSA-O
XLogP1.76
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium
CID 15083181
4-methyl-2-(5-methyl-3H-imidazo[4,5-c]pyridin-5-ium-2-yl)quinoline
CID 15644518
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
CID 139238299
2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium
CID 15083169
6-ethyl-2-(4-methyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106476250
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
5-bromo-6-tert-butyl-2-(4-methyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106479686
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium?
The IUPAC name of 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium (CID 15083163) is 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium?
The canonical SMILES for 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium is Cc1ccnc(-c2nc3cc[n+](C)cc3[nH]2)c1.
What is the InChIKey of 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium?
The InChIKey is NFDAAZCHAYLHON-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N4/c1-9-3-5-14-11(7-9)13-15-10-4-6-17(2)8-12(10)16-13/h3-8H,1-2H3/p+1.
What are the key properties of 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium?
5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 225.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 15083163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).