Products for Research Use Only

Methoxy-PEPy

CAT: 0127-BUP08604-06Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP08604-06Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
524924-76-3
Purity
=98%
Smiles
COc1cncc(c1)C#Cc1ccccn1

Chemical Information

3-Methoxy-5-(2-pyridinylethynyl)pyridine

structure in first source

CAS Number524924-76-3
PubChem CID10081842
IUPAC Name3-methoxy-5-(2-pyridin-2-ylethynyl)pyridine
Molecular FormulaC13H10N2O
Molecular Weight210.23
XLogP1.8
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity278
SMILES
COC1=CN=CC(=C1)C#CC2=CC=CC=N2
InChI
InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3
InChIKey
VRTFKUFTEWQHDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-5-(2-pyridinylethynyl)pyridine
CAS: 524924-76-3
CID: 10081842
Formula: C13H10N2O
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass210.079312947
Monoisotopic Mass210.079312947
Topological Polar Surface Area35 Ų
Heavy Atom Count16
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes