2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine

C12H15NO — CID 166863614

IUPAC2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine
SMILESCc1ccc(C2CC3CCC2O3)cn1
InChIInChI=1S/C12H15NO/c1-8-2-3-9(7-13-8)11-6-10-4-5-12(11)14-10/h2-3,7,10-12H,4-6H2,1H3
InChIKeyDACYYMCCBGMYAB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.42
Rot. Bonds1

About 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine

2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine (PubChem CID 166863614) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine.

Molecular Properties

Compound Name2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine
PubChem CID166863614
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine
SMILESCc1ccc(C2CC3CCC2O3)cn1
InChIInChI=1S/C12H15NO/c1-8-2-3-9(7-13-8)11-6-10-4-5-12(11)14-10/h2-3,7,10-12H,4-6H2,1H3
InChIKeyDACYYMCCBGMYAB-UHFFFAOYSA-N
XLogP2.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine?
The IUPAC name of 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine (CID 166863614) is 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine.
What is the SMILES notation for 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine?
The canonical SMILES for 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine is Cc1ccc(C2CC3CCC2O3)cn1.
What is the InChIKey of 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine?
The InChIKey is DACYYMCCBGMYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-2-3-9(7-13-8)11-6-10-4-5-12(11)14-10/h2-3,7,10-12H,4-6H2,1H3.
What are the key properties of 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine?
2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine is sourced from PubChem (CID 166863614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).