6,7-dimethyl-7H-cyclohepta[b]pyridine

Name: 6,7-dimethyl-7H-cyclohepta[b]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₃N — CID 155713495

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6,7-dimethyl-7H-cyclohepta[b]pyridine

SMILESCC1=Cc2cccnc2C=CC1C

InChIInChI=1S/C12H13N/c1-9-5-6-12-11(8-10(9)2)4-3-7-13-12/h3-9H,1-2H3

InChIKeyZRNREMWCPHWAJM-UHFFFAOYSA-N

MW171.24 g/mol

LogP3.15

Rot. Bonds

About 6,7-dimethyl-7H-cyclohepta[b]pyridine

6,7-dimethyl-7H-cyclohepta[b]pyridine (PubChem CID 155713495) has the molecular formula C₁₂H₁₃N and a molecular weight of 171.24 g/mol. Its IUPAC name is 6,7-dimethyl-7H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name	6,7-dimethyl-7H-cyclohepta[b]pyridine
PubChem CID	155713495
Molecular Formula	C₁₂H₁₃N
Molecular Weight	171.24 g/mol
Exact Mass	171.10
IUPAC Name	6,7-dimethyl-7H-cyclohepta[b]pyridine
SMILES	CC1=Cc2cccnc2C=CC1C
InChI	InChI=1S/C12H13N/c1-9-5-6-12-11(8-10(9)2)4-3-7-13-12/h3-9H,1-2H3
InChIKey	ZRNREMWCPHWAJM-UHFFFAOYSA-N
XLogP	3.15
TPSA	12.89 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.24
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-7H-cyclohepta[b]pyridine?

The IUPAC name of 6,7-dimethyl-7H-cyclohepta[b]pyridine (CID 155713495) is 6,7-dimethyl-7H-cyclohepta[b]pyridine.

What is the SMILES notation for 6,7-dimethyl-7H-cyclohepta[b]pyridine?

The canonical SMILES for 6,7-dimethyl-7H-cyclohepta[b]pyridine is CC1=Cc2cccnc2C=CC1C.

What is the InChIKey of 6,7-dimethyl-7H-cyclohepta[b]pyridine?

The InChIKey is ZRNREMWCPHWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-5-6-12-11(8-10(9)2)4-3-7-13-12/h3-9H,1-2H3.

What are the key properties of 6,7-dimethyl-7H-cyclohepta[b]pyridine?

6,7-dimethyl-7H-cyclohepta[b]pyridine has a molecular weight of 171.24 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-7H-cyclohepta[b]pyridine is sourced from PubChem (CID 155713495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155713495 — identifiers, structure, computed properties (public domain)

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