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Home > Pyridines > 197449-04-0
197449-04-0 | Pyridine, 2-(1-ethenyl-1H-pyrrol-2-yl)-
CAS No: 197449-04-0 Catalog No: AG002ATQ MDL No:
Product Description
Catalog Number:
AG002ATQ
Chemical Name:
Pyridine, 2-(1-ethenyl-1H-pyrrol-2-yl)-
CAS Number:
197449-04-0
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-(1-ethenylpyrrol-2-yl)pyridine
InChI:
InChI=1S/C11H10N2/c1-2-13-9-5-7-11(13)10-6-3-4-8-12-10/h2-9H,1H2
InChI Key:
DRFXOBIWHKRWQY-UHFFFAOYSA-N
SMILES:
C=Cn1cccc1c1ccccn1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Different types of hydrogen bonds in 2-substituted pyrroles and 1-vinyl pyrroles as monitored by (1)H, (13)C and (15)N NMR spectroscopy and ab initio calculations. | Magnetic resonance in chemistry : MRC 20060101 |
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