8,9-dimethyl-5H-pyrido[4,3-b]indole

C13H12N2 — CID 91330855

IUPAC8,9-dimethyl-5H-pyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3ccncc3c2c1C
InChIInChI=1S/C13H12N2/c1-8-3-4-12-13(9(8)2)10-7-14-6-5-11(10)15-12/h3-7,15H,1-2H3
InChIKeyVFHJGTPYYFTKOW-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.33
Rot. Bonds

About 8,9-dimethyl-5H-pyrido[4,3-b]indole

8,9-dimethyl-5H-pyrido[4,3-b]indole (PubChem CID 91330855) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 8,9-dimethyl-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8,9-dimethyl-5H-pyrido[4,3-b]indole
PubChem CID91330855
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name8,9-dimethyl-5H-pyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3ccncc3c2c1C
InChIInChI=1S/C13H12N2/c1-8-3-4-12-13(9(8)2)10-7-14-6-5-11(10)15-12/h3-7,15H,1-2H3
InChIKeyVFHJGTPYYFTKOW-UHFFFAOYSA-N
XLogP3.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,6-trimethyl-9H-carbazole
CID 610656
ethane;5H-pyrido[4,3-b]indole
CID 176987523
7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole
CID 134489276
N-(6,9-dimethyl-5H-pyrido[4,3-b]indol-7-yl)acetamide
CID 10467444
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
4-methylsulfonyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 145187559
methane;2,3,4,5-tetramethyl-1H-indole
CID 174502737
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 143713533
benzene;2,3,4,5-tetramethyl-1H-indole
CID 174464516
5,7-dimethyl-9H-pyrido[3,4-b]indole
CID 22566324
2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one
CID 56941125
2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol
CID 134361332

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-5H-pyrido[4,3-b]indole?
The IUPAC name of 8,9-dimethyl-5H-pyrido[4,3-b]indole (CID 91330855) is 8,9-dimethyl-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 8,9-dimethyl-5H-pyrido[4,3-b]indole?
The canonical SMILES for 8,9-dimethyl-5H-pyrido[4,3-b]indole is Cc1ccc2[nH]c3ccncc3c2c1C.
What is the InChIKey of 8,9-dimethyl-5H-pyrido[4,3-b]indole?
The InChIKey is VFHJGTPYYFTKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-8-3-4-12-13(9(8)2)10-7-14-6-5-11(10)15-12/h3-7,15H,1-2H3.
What are the key properties of 8,9-dimethyl-5H-pyrido[4,3-b]indole?
8,9-dimethyl-5H-pyrido[4,3-b]indole has a molecular weight of 196.25 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 91330855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).