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1254328-26-1 | 4-Pyridinecarboxylic acid, 2,3-dimethyl-, methyl ester
CAS No: 1254328-26-1 Catalog No: AG000NOY MDL No:MFCD15527023
Product Description
Catalog Number:
AG000NOY
Chemical Name:
4-Pyridinecarboxylic acid, 2,3-dimethyl-, methyl ester
CAS Number:
1254328-26-1
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD15527023
IUPAC Name:
methyl 2,3-dimethylpyridine-4-carboxylate
InChI:
InChI=1S/C9H11NO2/c1-6-7(2)10-5-4-8(6)9(11)12-3/h4-5H,1-3H3
InChI Key:
CDALNXGJTOUCHO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. | Journal of medicinal chemistry 20101111 |
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