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

C12H10N2 — CID 5281404

IUPAC1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
InChIKeyPSFDQSOCUJVVGF-UHFFFAOYSA-N
MW182.23 g/mol
LogP3.02
Rot. Bonds

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

1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 5281404) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9H-pyrido[3,4-b]indole
PubChem CID5281404
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
InChIKeyPSFDQSOCUJVVGF-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9H-pyrido[3,4-b]indole (CID 5281404) is 1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is PSFDQSOCUJVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3.
What are the key properties of 1-methyl-9H-pyrido[3,4-b]indole?
1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 182.23 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 5281404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).