2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole

C19H17N2+ — CID 147064951

IUPAC2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole
SMILESCc1ccc2c([nH]c3ccccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C19H16N2/c1-13-10-11-15-14-7-3-4-8-16(14)20-19(15)18(13)17-9-5-6-12-21(17)2/h3-12H,1-2H3/p+1
InChIKeyABLKJNVKWRXFNW-UHFFFAOYSA-O
MW273.36 g/mol
LogP4.12
Rot. Bonds1

About 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole

2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole (PubChem CID 147064951) has the molecular formula C19H17N2+ and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole
PubChem CID147064951
Molecular FormulaC19H17N2+
Molecular Weight273.36 g/mol
Exact Mass273.14
IUPAC Name2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole
SMILESCc1ccc2c([nH]c3ccccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C19H16N2/c1-13-10-11-15-14-7-3-4-8-16(14)20-19(15)18(13)17-9-5-6-12-21(17)2/h3-12H,1-2H3/p+1
InChIKeyABLKJNVKWRXFNW-UHFFFAOYSA-O
XLogP4.12
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium
CID 11199472
azane;1,2-dimethyl-9H-carbazole
CID 174760951
carbanide;ethane;2-methyl-9H-carbazol-1-ol;yttrium
CID 161379939
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
2-methyl-1-(trifluoromethyl)-9H-carbazole
CID 173176935
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane
CID 167357536
5-methyl-11H-benzo[a]carbazole
CID 6454977
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317
2-[6-deuterio-3-methyl-7-(4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357869
2-chloro-1-methyl-9H-carbazole
CID 154342995
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-(7-isocyano-3,6-dimethyldibenzoselenophen-4-yl)-1-methylpyridin-1-ium
CID 154616221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole?
The IUPAC name of 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole (CID 147064951) is 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole.
What is the SMILES notation for 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole?
The canonical SMILES for 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole is Cc1ccc2c([nH]c3ccccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole?
The InChIKey is ABLKJNVKWRXFNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N2/c1-13-10-11-15-14-7-3-4-8-16(14)20-19(15)18(13)17-9-5-6-12-21(17)2/h3-12H,1-2H3/p+1.
What are the key properties of 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole?
2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole has a molecular weight of 273.36 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole is sourced from PubChem (CID 147064951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).