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Home > Pyridines > 791104-41-1
791104-41-1 | Pyrimidine, 5-(4-pyridinylethynyl)-
CAS No: 791104-41-1 Catalog No: AG0053IF MDL No:
Product Description
Catalog Number:
AG0053IF
Chemical Name:
Pyrimidine, 5-(4-pyridinylethynyl)-
CAS Number:
791104-41-1
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
IUPAC Name:
5-(2-pyridin-4-ylethynyl)pyrimidine
InChI:
InChI=1S/C11H7N3/c1(10-3-5-12-6-4-10)2-11-7-13-9-14-8-11/h3-9H
InChI Key:
KYUHXQZUYRVOOW-UHFFFAOYSA-N
SMILES:
c1ncc(cn1)C#Cc1ccncc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.198g/mol
Monoisotopic Mass:
181.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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