3,7-dimethyl-8H-cyclohepta[b]pyridine

C12H13N — CID 89302809

IUPAC3,7-dimethyl-8H-cyclohepta[b]pyridine
SMILESCC1=CC=c2cc(C)cnc2=CC1
InChIInChI=1S/C12H13N/c1-9-3-5-11-7-10(2)8-13-12(11)6-4-9/h3,5-8H,4H2,1-2H3
InChIKeyUIZYMSREXMEUKP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.30
Rot. Bonds

About 3,7-dimethyl-8H-cyclohepta[b]pyridine

3,7-dimethyl-8H-cyclohepta[b]pyridine (PubChem CID 89302809) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,7-dimethyl-8H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name3,7-dimethyl-8H-cyclohepta[b]pyridine
PubChem CID89302809
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3,7-dimethyl-8H-cyclohepta[b]pyridine
SMILESCC1=CC=c2cc(C)cnc2=CC1
InChIInChI=1S/C12H13N/c1-9-3-5-11-7-10(2)8-13-12(11)6-4-9/h3,5-8H,4H2,1-2H3
InChIKeyUIZYMSREXMEUKP-UHFFFAOYSA-N
XLogP1.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-8H-cyclohepta[b]pyridine?
The IUPAC name of 3,7-dimethyl-8H-cyclohepta[b]pyridine (CID 89302809) is 3,7-dimethyl-8H-cyclohepta[b]pyridine.
What is the SMILES notation for 3,7-dimethyl-8H-cyclohepta[b]pyridine?
The canonical SMILES for 3,7-dimethyl-8H-cyclohepta[b]pyridine is CC1=CC=c2cc(C)cnc2=CC1.
What is the InChIKey of 3,7-dimethyl-8H-cyclohepta[b]pyridine?
The InChIKey is UIZYMSREXMEUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-3-5-11-7-10(2)8-13-12(11)6-4-9/h3,5-8H,4H2,1-2H3.
What are the key properties of 3,7-dimethyl-8H-cyclohepta[b]pyridine?
3,7-dimethyl-8H-cyclohepta[b]pyridine has a molecular weight of 171.24 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8H-cyclohepta[b]pyridine is sourced from PubChem (CID 89302809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).