1-methylpyrido[3,2-b]indole

C12H10N2 — CID 10749945

IUPAC1-methylpyrido[3,2-b]indole
SMILESCn1cccc2nc3ccccc3c1-2
InChIInChI=1S/C12H10N2/c1-14-8-4-7-11-12(14)9-5-2-3-6-10(9)13-11/h2-8H,1H3
InChIKeyVFAJYYGKZZDBFN-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.68
Rot. Bonds

About 1-methylpyrido[3,2-b]indole

1-methylpyrido[3,2-b]indole (PubChem CID 10749945) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methylpyrido[3,2-b]indole.

Molecular Properties

Compound Name1-methylpyrido[3,2-b]indole
PubChem CID10749945
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-methylpyrido[3,2-b]indole
SMILESCn1cccc2nc3ccccc3c1-2
InChIInChI=1S/C12H10N2/c1-14-8-4-7-11-12(14)9-5-2-3-6-10(9)13-11/h2-8H,1H3
InChIKeyVFAJYYGKZZDBFN-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 1-methylpyrido[3,2-b]indole?
The IUPAC name of 1-methylpyrido[3,2-b]indole (CID 10749945) is 1-methylpyrido[3,2-b]indole.
What is the SMILES notation for 1-methylpyrido[3,2-b]indole?
The canonical SMILES for 1-methylpyrido[3,2-b]indole is Cn1cccc2nc3ccccc3c1-2.
What is the InChIKey of 1-methylpyrido[3,2-b]indole?
The InChIKey is VFAJYYGKZZDBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-14-8-4-7-11-12(14)9-5-2-3-6-10(9)13-11/h2-8H,1H3.
What are the key properties of 1-methylpyrido[3,2-b]indole?
1-methylpyrido[3,2-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 1-methylpyrido[3,2-b]indole is sourced from PubChem (CID 10749945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).