1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol

C20H19N2O+ — CID 158408043

IUPAC1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
SMILESCc1cc2c3ccccc3n(-c3cccc[n+]3C)c2c(C)c1O
InChIInChI=1S/C20H18N2O/c1-13-12-16-15-8-4-5-9-17(15)22(19(16)14(2)20(13)23)18-10-6-7-11-21(18)3/h4-12H,1-3H3/p+1
InChIKeyWVGVASMMZJNEGO-UHFFFAOYSA-O
MW303.39 g/mol
LogP3.93
Rot. Bonds1

About 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol

1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol (PubChem CID 158408043) has the molecular formula C20H19N2O+ and a molecular weight of 303.39 g/mol. Its IUPAC name is 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol.

Molecular Properties

Compound Name1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
PubChem CID158408043
Molecular FormulaC20H19N2O+
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC Name1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
SMILESCc1cc2c3ccccc3n(-c3cccc[n+]3C)c2c(C)c1O
InChIInChI=1S/C20H18N2O/c1-13-12-16-15-8-4-5-9-17(15)22(19(16)14(2)20(13)23)18-10-6-7-11-21(18)3/h4-12H,1-3H3/p+1
InChIKeyWVGVASMMZJNEGO-UHFFFAOYSA-O
XLogP3.93
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.93
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

6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol
CID 158341161
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
CID 161135803
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 160817149
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
CID 158582788
3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole
CID 162103851
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 177095609
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol?
The IUPAC name of 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol (CID 158408043) is 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol.
What is the SMILES notation for 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol?
The canonical SMILES for 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol is Cc1cc2c3ccccc3n(-c3cccc[n+]3C)c2c(C)c1O.
What is the InChIKey of 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol?
The InChIKey is WVGVASMMZJNEGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N2O/c1-13-12-16-15-8-4-5-9-17(15)22(19(16)14(2)20(13)23)18-10-6-7-11-21(18)3/h4-12H,1-3H3/p+1.
What are the key properties of 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol?
1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol has a molecular weight of 303.39 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol is sourced from PubChem (CID 158408043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).