2,3-dimethylcyclohepta[b]pyridine

C12H11N — CID 142190844

IUPAC2,3-dimethylcyclohepta[b]pyridine
SMILESCc1cc2c(nc1C)C=C=CC=C2
InChIInChI=1S/C12H11N/c1-9-8-11-6-4-3-5-7-12(11)13-10(9)2/h3-4,6-8H,1-2H3
InChIKeyUTXQLMYOUCHNES-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.89
Rot. Bonds

About 2,3-dimethylcyclohepta[b]pyridine

2,3-dimethylcyclohepta[b]pyridine (PubChem CID 142190844) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 2,3-dimethylcyclohepta[b]pyridine.

Molecular Properties

Compound Name2,3-dimethylcyclohepta[b]pyridine
PubChem CID142190844
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name2,3-dimethylcyclohepta[b]pyridine
SMILESCc1cc2c(nc1C)C=C=CC=C2
InChIInChI=1S/C12H11N/c1-9-8-11-6-4-3-5-7-12(11)13-10(9)2/h3-4,6-8H,1-2H3
InChIKeyUTXQLMYOUCHNES-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclohepta[b]pyridine?
The IUPAC name of 2,3-dimethylcyclohepta[b]pyridine (CID 142190844) is 2,3-dimethylcyclohepta[b]pyridine.
What is the SMILES notation for 2,3-dimethylcyclohepta[b]pyridine?
The canonical SMILES for 2,3-dimethylcyclohepta[b]pyridine is Cc1cc2c(nc1C)C=C=CC=C2.
What is the InChIKey of 2,3-dimethylcyclohepta[b]pyridine?
The InChIKey is UTXQLMYOUCHNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-9-8-11-6-4-3-5-7-12(11)13-10(9)2/h3-4,6-8H,1-2H3.
What are the key properties of 2,3-dimethylcyclohepta[b]pyridine?
2,3-dimethylcyclohepta[b]pyridine has a molecular weight of 169.23 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclohepta[b]pyridine is sourced from PubChem (CID 142190844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).