1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium

C13H13N2+ — CID 11199472

IUPAC1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium
SMILESCc1c2[nH]c3ccccc3c2cc[n+]1C
InChIInChI=1S/C13H12N2/c1-9-13-11(7-8-15(9)2)10-5-3-4-6-12(10)14-13/h3-8H,1-2H3/p+1
InChIKeyWURQJRLLMSPUST-UHFFFAOYSA-O
MW197.26 g/mol
LogP2.45
Rot. Bonds

About 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium

1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium (PubChem CID 11199472) has the molecular formula C13H13N2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium.

Molecular Properties

Compound Name1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium
PubChem CID11199472
Molecular FormulaC13H13N2+
Molecular Weight197.26 g/mol
Exact Mass197.11
IUPAC Name1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium
SMILESCc1c2[nH]c3ccccc3c2cc[n+]1C
InChIInChI=1S/C13H12N2/c1-9-13-11(7-8-15(9)2)10-5-3-4-6-12(10)14-13/h3-8H,1-2H3/p+1
InChIKeyWURQJRLLMSPUST-UHFFFAOYSA-O
XLogP2.45
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.45
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

7-bromo-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium chloride
CID 162660001
(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-phenylmethanone iodide
CID 127040471
2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole
CID 147064951
2-[(4-chlorophenyl)methyl]-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromide
CID 122178003
5-methyl-11H-benzo[a]carbazole
CID 6454977
1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium bromide
CID 122178005
azane;1,2-dimethyl-9H-carbazole
CID 174760951
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
benzyl-dimethyl-[3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl]azanium
CID 3048095
2-chloro-1-methyl-9H-carbazole
CID 154342995

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium?
The IUPAC name of 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium (CID 11199472) is 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium.
What is the SMILES notation for 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium?
The canonical SMILES for 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium is Cc1c2[nH]c3ccccc3c2cc[n+]1C.
What is the InChIKey of 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium?
The InChIKey is WURQJRLLMSPUST-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N2/c1-9-13-11(7-8-15(9)2)10-5-3-4-6-12(10)14-13/h3-8H,1-2H3/p+1.
What are the key properties of 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium?
1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium has a molecular weight of 197.26 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium is sourced from PubChem (CID 11199472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).