5,7-dimethyl-9H-pyrido[3,4-b]indole

C13H12N2 — CID 22566324

IUPAC5,7-dimethyl-9H-pyrido[3,4-b]indole
SMILESCc1cc(C)c2c(c1)[nH]c1cnccc12
InChIInChI=1S/C13H12N2/c1-8-5-9(2)13-10-3-4-14-7-12(10)15-11(13)6-8/h3-7,15H,1-2H3
InChIKeyASOYGOZZQSPOQL-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.33
Rot. Bonds

About 5,7-dimethyl-9H-pyrido[3,4-b]indole

5,7-dimethyl-9H-pyrido[3,4-b]indole (PubChem CID 22566324) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5,7-dimethyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name5,7-dimethyl-9H-pyrido[3,4-b]indole
PubChem CID22566324
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name5,7-dimethyl-9H-pyrido[3,4-b]indole
SMILESCc1cc(C)c2c(c1)[nH]c1cnccc12
InChIInChI=1S/C13H12N2/c1-8-5-9(2)13-10-3-4-14-7-12(10)15-11(13)6-8/h3-7,15H,1-2H3
InChIKeyASOYGOZZQSPOQL-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 5,7-dimethyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 5,7-dimethyl-9H-pyrido[3,4-b]indole (CID 22566324) is 5,7-dimethyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 5,7-dimethyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 5,7-dimethyl-9H-pyrido[3,4-b]indole is Cc1cc(C)c2c(c1)[nH]c1cnccc12.
What is the InChIKey of 5,7-dimethyl-9H-pyrido[3,4-b]indole?
The InChIKey is ASOYGOZZQSPOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-8-5-9(2)13-10-3-4-14-7-12(10)15-11(13)6-8/h3-7,15H,1-2H3.
What are the key properties of 5,7-dimethyl-9H-pyrido[3,4-b]indole?
5,7-dimethyl-9H-pyrido[3,4-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 5,7-dimethyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 22566324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).