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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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).