3-methyl-7H-cyclohepta[b]pyridine

C₁₁H₁₁N — CID 130255856

About 3-methyl-7H-cyclohepta[b]pyridine

3-methyl-7H-cyclohepta[b]pyridine (PubChem CID 130255856) has the molecular formula C₁₁H₁₁N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methyl-7H-cyclohepta[b]pyridine.

Molecular Properties

• Compound Name: 3-methyl-7H-cyclohepta[b]pyridine
• PubChem CID: 130255856
• Molecular Formula: C₁₁H₁₁N
• Molecular Weight: 157.22 g/mol
• Exact Mass: 157.09
• IUPAC Name: 3-methyl-7H-cyclohepta[b]pyridine
• SMILES: Cc1cnc2c(c1)C=CCC=C2
• InChI: InChI=1S/C11H11N/c1-9-7-10-5-3-2-4-6-11(10)12-8-9/h3-8H,2H2,1H3
• InChIKey: KKJHMCDMQDZVCD-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.22
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7H-cyclohepta[b]pyridine?

The IUPAC name of 3-methyl-7H-cyclohepta[b]pyridine (CID 130255856) is 3-methyl-7H-cyclohepta[b]pyridine.

What is the SMILES notation for 3-methyl-7H-cyclohepta[b]pyridine?

The canonical SMILES for 3-methyl-7H-cyclohepta[b]pyridine is Cc1cnc2c(c1)C=CCC=C2.

What is the InChIKey of 3-methyl-7H-cyclohepta[b]pyridine?

The InChIKey is KKJHMCDMQDZVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-7-10-5-3-2-4-6-11(10)12-8-9/h3-8H,2H2,1H3.

What are the key properties of 3-methyl-7H-cyclohepta[b]pyridine?

3-methyl-7H-cyclohepta[b]pyridine has a molecular weight of 157.22 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-7H-cyclohepta[b]pyridine is sourced from PubChem (CID 130255856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130255856 — identifiers, structure, computed properties (public domain)

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