3-methyl-9H-pyrido[2,3-b]indole

C12H10N2 — CID 12596583

IUPAC3-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)13-7-8/h2-7H,1H3,(H,13,14)
InChIKeyKZCHBHJWVHWOCE-UHFFFAOYSA-N
MW182.23 g/mol
LogP3.02
Rot. Bonds

About 3-methyl-9H-pyrido[2,3-b]indole

3-methyl-9H-pyrido[2,3-b]indole (PubChem CID 12596583) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-methyl-9H-pyrido[2,3-b]indole
PubChem CID12596583
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name3-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)13-7-8/h2-7H,1H3,(H,13,14)
InChIKeyKZCHBHJWVHWOCE-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 3-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 3-methyl-9H-pyrido[2,3-b]indole (CID 12596583) is 3-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3-methyl-9H-pyrido[2,3-b]indole is Cc1cnc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is KZCHBHJWVHWOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)13-7-8/h2-7H,1H3,(H,13,14).
What are the key properties of 3-methyl-9H-pyrido[2,3-b]indole?
3-methyl-9H-pyrido[2,3-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 3-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 12596583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).