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

C11H11N — CID 130255856

IUPAC3-methyl-7H-cyclohepta[b]pyridine
SMILESCc1cnc2c(c1)C=CCC=C2
InChIInChI=1S/C11H11N/c1-9-7-10-5-3-2-4-6-11(10)12-8-9/h3-8H,2H2,1H3
InChIKeyKKJHMCDMQDZVCD-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.82
Rot. Bonds

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 Name3-methyl-7H-cyclohepta[b]pyridine
PubChem CID130255856
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methyl-7H-cyclohepta[b]pyridine
SMILESCc1cnc2c(c1)C=CCC=C2
InChIInChI=1S/C11H11N/c1-9-7-10-5-3-2-4-6-11(10)12-8-9/h3-8H,2H2,1H3
InChIKeyKKJHMCDMQDZVCD-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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).