2,7,7-trimethylcyclohepta[b]pyridine;yttrium

C13H15NY — CID 145326449

IUPAC2,7,7-trimethylcyclohepta[b]pyridine;yttrium
SMILESCc1ccc2c(n1)C=CC(C)(C)C=C2.[Y]
InChIInChI=1S/C13H15N.Y/c1-10-4-5-11-6-8-13(2,3)9-7-12(11)14-10;/h4-9H,1-3H3;
InChIKeyAUVWRPYHLDXORY-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.45
Rot. Bonds

About 2,7,7-trimethylcyclohepta[b]pyridine;yttrium

2,7,7-trimethylcyclohepta[b]pyridine;yttrium (PubChem CID 145326449) has the molecular formula C13H15NY and a molecular weight of 274.18 g/mol. Its IUPAC name is 2,7,7-trimethylcyclohepta[b]pyridine;yttrium.

Molecular Properties

Compound Name2,7,7-trimethylcyclohepta[b]pyridine;yttrium
PubChem CID145326449
Molecular FormulaC13H15NY
Molecular Weight274.18 g/mol
Exact Mass274.03
IUPAC Name2,7,7-trimethylcyclohepta[b]pyridine;yttrium
SMILESCc1ccc2c(n1)C=CC(C)(C)C=C2.[Y]
InChIInChI=1S/C13H15N.Y/c1-10-4-5-11-6-8-13(2,3)9-7-12(11)14-10;/h4-9H,1-3H3;
InChIKeyAUVWRPYHLDXORY-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethylcyclohepta[b]pyridine;yttrium?
The IUPAC name of 2,7,7-trimethylcyclohepta[b]pyridine;yttrium (CID 145326449) is 2,7,7-trimethylcyclohepta[b]pyridine;yttrium.
What is the SMILES notation for 2,7,7-trimethylcyclohepta[b]pyridine;yttrium?
The canonical SMILES for 2,7,7-trimethylcyclohepta[b]pyridine;yttrium is Cc1ccc2c(n1)C=CC(C)(C)C=C2.[Y].
What is the InChIKey of 2,7,7-trimethylcyclohepta[b]pyridine;yttrium?
The InChIKey is AUVWRPYHLDXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.Y/c1-10-4-5-11-6-8-13(2,3)9-7-12(11)14-10;/h4-9H,1-3H3;.
What are the key properties of 2,7,7-trimethylcyclohepta[b]pyridine;yttrium?
2,7,7-trimethylcyclohepta[b]pyridine;yttrium has a molecular weight of 274.18 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethylcyclohepta[b]pyridine;yttrium is sourced from PubChem (CID 145326449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).