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Home > Pyridines > 1214381-94-8
1214381-94-8 | Ethyl 2-(Pyridin-4-Yl)Isonicotinate
CAS No: 1214381-94-8 Catalog No: AG00HG7W MDL No:MFCD15477793
Product Description
Catalog Number:
AG00HG7W
Chemical Name:
Ethyl 2-(Pyridin-4-Yl)Isonicotinate
CAS Number:
1214381-94-8
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD15477793
IUPAC Name:
ethyl 2-pyridin-4-ylpyridine-4-carboxylate
InChI:
InChI=1S/C13H12N2O2/c1-2-17-13(16)11-5-8-15-12(9-11)10-3-6-14-7-4-10/h3-9H,2H2,1H3
InChI Key:
KJJXNPHLSQYDCF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)c1ccncc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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