5-methyl-9H-cyclohepta[c]pyridine

C11H11N — CID 145127682

IUPAC5-methyl-9H-cyclohepta[c]pyridine
SMILESCC1=CC=CCc2cnccc21
InChIInChI=1S/C11H11N/c1-9-4-2-3-5-10-8-12-7-6-11(9)10/h2-4,6-8H,5H2,1H3
InChIKeyAZNZZWUGXCEDPO-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.60
Rot. Bonds

About 5-methyl-9H-cyclohepta[c]pyridine

5-methyl-9H-cyclohepta[c]pyridine (PubChem CID 145127682) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 5-methyl-9H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name5-methyl-9H-cyclohepta[c]pyridine
PubChem CID145127682
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name5-methyl-9H-cyclohepta[c]pyridine
SMILESCC1=CC=CCc2cnccc21
InChIInChI=1S/C11H11N/c1-9-4-2-3-5-10-8-12-7-6-11(9)10/h2-4,6-8H,5H2,1H3
InChIKeyAZNZZWUGXCEDPO-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-9H-cyclohepta[c]pyridine?
The IUPAC name of 5-methyl-9H-cyclohepta[c]pyridine (CID 145127682) is 5-methyl-9H-cyclohepta[c]pyridine.
What is the SMILES notation for 5-methyl-9H-cyclohepta[c]pyridine?
The canonical SMILES for 5-methyl-9H-cyclohepta[c]pyridine is CC1=CC=CCc2cnccc21.
What is the InChIKey of 5-methyl-9H-cyclohepta[c]pyridine?
The InChIKey is AZNZZWUGXCEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-4-2-3-5-10-8-12-7-6-11(9)10/h2-4,6-8H,5H2,1H3.
What are the key properties of 5-methyl-9H-cyclohepta[c]pyridine?
5-methyl-9H-cyclohepta[c]pyridine has a molecular weight of 157.22 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9H-cyclohepta[c]pyridine is sourced from PubChem (CID 145127682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).