5-methylpyrido[4,3-b]indole

C12H10N2 — CID 11030447

IUPAC5-methylpyrido[4,3-b]indole
SMILESCn1c2ccccc2c2cnccc21
InChIInChI=1S/C12H10N2/c1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14/h2-8H,1H3
InChIKeyOSJLOPGPFMIKTH-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.73
Rot. Bonds

About 5-methylpyrido[4,3-b]indole

5-methylpyrido[4,3-b]indole (PubChem CID 11030447) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-methylpyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methylpyrido[4,3-b]indole
PubChem CID11030447
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name5-methylpyrido[4,3-b]indole
SMILESCn1c2ccccc2c2cnccc21
InChIInChI=1S/C12H10N2/c1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14/h2-8H,1H3
InChIKeyOSJLOPGPFMIKTH-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyrido[4,3-b]indole?
The IUPAC name of 5-methylpyrido[4,3-b]indole (CID 11030447) is 5-methylpyrido[4,3-b]indole.
What is the SMILES notation for 5-methylpyrido[4,3-b]indole?
The canonical SMILES for 5-methylpyrido[4,3-b]indole is Cn1c2ccccc2c2cnccc21.
What is the InChIKey of 5-methylpyrido[4,3-b]indole?
The InChIKey is OSJLOPGPFMIKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14/h2-8H,1H3.
What are the key properties of 5-methylpyrido[4,3-b]indole?
5-methylpyrido[4,3-b]indole has a molecular weight of 182.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrido[4,3-b]indole is sourced from PubChem (CID 11030447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).