4-methyl-7H-pyrido[3,2-b]azepine

C₁₀H₁₀N₂ — CID 177041007

About 4-methyl-7H-pyrido[3,2-b]azepine

4-methyl-7H-pyrido[3,2-b]azepine (PubChem CID 177041007) has the molecular formula C₁₀H₁₀N₂ and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-methyl-7H-pyrido[3,2-b]azepine.

Molecular Properties

• Compound Name: 4-methyl-7H-pyrido[3,2-b]azepine
• PubChem CID: 177041007
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.20 g/mol
• Exact Mass: 158.08
• IUPAC Name: 4-methyl-7H-pyrido[3,2-b]azepine
• SMILES: Cc1ccnc2c1N=CCC=C2
• InChI: InChI=1S/C10H10N2/c1-8-5-7-11-9-4-2-3-6-12-10(8)9/h2,4-7H,3H2,1H3
• InChIKey: XLXXPEJIXYKZTF-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 25.25 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.20
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7H-pyrido[3,2-b]azepine?

The IUPAC name of 4-methyl-7H-pyrido[3,2-b]azepine (CID 177041007) is 4-methyl-7H-pyrido[3,2-b]azepine.

What is the SMILES notation for 4-methyl-7H-pyrido[3,2-b]azepine?

The canonical SMILES for 4-methyl-7H-pyrido[3,2-b]azepine is Cc1ccnc2c1N=CCC=C2.

What is the InChIKey of 4-methyl-7H-pyrido[3,2-b]azepine?

The InChIKey is XLXXPEJIXYKZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-5-7-11-9-4-2-3-6-12-10(8)9/h2,4-7H,3H2,1H3.

What are the key properties of 4-methyl-7H-pyrido[3,2-b]azepine?

4-methyl-7H-pyrido[3,2-b]azepine has a molecular weight of 158.20 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-7H-pyrido[3,2-b]azepine is sourced from PubChem (CID 177041007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177041007 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.