1-methyl-9H-pyrido[4,3-b]indole

C12H10N2 — CID 15897930

IUPAC1-methyl-9H-pyrido[4,3-b]indole
SMILESCc1nccc2c1=C1CC=CC=C1N=2
InChIInChI=1S/C12H10N2/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h2-3,5-7H,4H2,1H3
InChIKeyZVISLGGSHVDJPT-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.02
Rot. Bonds

About 1-methyl-9H-pyrido[4,3-b]indole

1-methyl-9H-pyrido[4,3-b]indole (PubChem CID 15897930) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methyl-9H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1-methyl-9H-pyrido[4,3-b]indole
PubChem CID15897930
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-methyl-9H-pyrido[4,3-b]indole
SMILESCc1nccc2c1=C1CC=CC=C1N=2
InChIInChI=1S/C12H10N2/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h2-3,5-7H,4H2,1H3
InChIKeyZVISLGGSHVDJPT-UHFFFAOYSA-N
XLogP1.02
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-pyrido[4,3-b]indole?
The IUPAC name of 1-methyl-9H-pyrido[4,3-b]indole (CID 15897930) is 1-methyl-9H-pyrido[4,3-b]indole.
What is the SMILES notation for 1-methyl-9H-pyrido[4,3-b]indole?
The canonical SMILES for 1-methyl-9H-pyrido[4,3-b]indole is Cc1nccc2c1=C1CC=CC=C1N=2.
What is the InChIKey of 1-methyl-9H-pyrido[4,3-b]indole?
The InChIKey is ZVISLGGSHVDJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-methyl-9H-pyrido[4,3-b]indole?
1-methyl-9H-pyrido[4,3-b]indole has a molecular weight of 182.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-pyrido[4,3-b]indole is sourced from PubChem (CID 15897930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).