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56970-91-3 | PYRIDIN-2-YL(PYRIDIN-3-YL)METHANONE
CAS No: 56970-91-3 Catalog No: AG00EE8N MDL No:MFCD09055145
Product Description
Catalog Number:
AG00EE8N
Chemical Name:
PYRIDIN-2-YL(PYRIDIN-3-YL)METHANONE
CAS Number:
56970-91-3
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD09055145
IUPAC Name:
pyridin-2-yl(pyridin-3-yl)methanone
InChI:
InChI=1S/C11H8N2O/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10/h1-8H
InChI Key:
WECOCLXDGWEPGO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)c1cccnc1
NSC Number:
255928
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Phenyl-(2-pyridyl)-(3-pyridyl)-(4-pyridyl)methane: synthesis, chiroptical properties, and theoretical calculation of its absolute configuration. | Chemistry, an Asian journal 20070803 |
| Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion. | Dalton transactions (Cambridge, England : 2003) 20051121 |
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