2,3-dimethyl-8H-cyclohepta[b]pyridine

C12H13N — CID 90816836

IUPAC2,3-dimethyl-8H-cyclohepta[b]pyridine
SMILESCc1cc2c(nc1C)=CCC=CC=2
InChIInChI=1S/C12H13N/c1-9-8-11-6-4-3-5-7-12(11)13-10(9)2/h3-4,6-8H,5H2,1-2H3
InChIKeyODQKJMRXNZEPQG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds

About 2,3-dimethyl-8H-cyclohepta[b]pyridine

2,3-dimethyl-8H-cyclohepta[b]pyridine (PubChem CID 90816836) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3-dimethyl-8H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-8H-cyclohepta[b]pyridine
PubChem CID90816836
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,3-dimethyl-8H-cyclohepta[b]pyridine
SMILESCc1cc2c(nc1C)=CCC=CC=2
InChIInChI=1S/C12H13N/c1-9-8-11-6-4-3-5-7-12(11)13-10(9)2/h3-4,6-8H,5H2,1-2H3
InChIKeyODQKJMRXNZEPQG-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8H-cyclohepta[b]pyridine?
The IUPAC name of 2,3-dimethyl-8H-cyclohepta[b]pyridine (CID 90816836) is 2,3-dimethyl-8H-cyclohepta[b]pyridine.
What is the SMILES notation for 2,3-dimethyl-8H-cyclohepta[b]pyridine?
The canonical SMILES for 2,3-dimethyl-8H-cyclohepta[b]pyridine is Cc1cc2c(nc1C)=CCC=CC=2.
What is the InChIKey of 2,3-dimethyl-8H-cyclohepta[b]pyridine?
The InChIKey is ODQKJMRXNZEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-8-11-6-4-3-5-7-12(11)13-10(9)2/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2,3-dimethyl-8H-cyclohepta[b]pyridine?
2,3-dimethyl-8H-cyclohepta[b]pyridine has a molecular weight of 171.24 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8H-cyclohepta[b]pyridine is sourced from PubChem (CID 90816836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).