2-methylpyrido[3,4-b]indole

C12H10N2 — CID 602830

IUPAC2-methylpyrido[3,4-b]indole
SMILESCn1ccc2c3ccccc3nc-2c1
InChIInChI=1S/C12H10N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-8H,1H3
InChIKeyUDHBHTHWWOQPBW-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.68
Rot. Bonds

About 2-methylpyrido[3,4-b]indole

2-methylpyrido[3,4-b]indole (PubChem CID 602830) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name2-methylpyrido[3,4-b]indole
PubChem CID602830
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-methylpyrido[3,4-b]indole
SMILESCn1ccc2c3ccccc3nc-2c1
InChIInChI=1S/C12H10N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-8H,1H3
InChIKeyUDHBHTHWWOQPBW-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrido[3,4-b]indole?
The IUPAC name of 2-methylpyrido[3,4-b]indole (CID 602830) is 2-methylpyrido[3,4-b]indole.
What is the SMILES notation for 2-methylpyrido[3,4-b]indole?
The canonical SMILES for 2-methylpyrido[3,4-b]indole is Cn1ccc2c3ccccc3nc-2c1.
What is the InChIKey of 2-methylpyrido[3,4-b]indole?
The InChIKey is UDHBHTHWWOQPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-8H,1H3.
What are the key properties of 2-methylpyrido[3,4-b]indole?
2-methylpyrido[3,4-b]indole has a molecular weight of 182.23 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrido[3,4-b]indole is sourced from PubChem (CID 602830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).