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167626-94-0 | 2-Pyridinecarboxylic acid, 4-methyl-5-[(1-oxopropyl)amino]-
CAS No: 167626-94-0 Catalog No: AG001XIB MDL No:
Product Description
Catalog Number:
AG001XIB
Chemical Name:
2-Pyridinecarboxylic acid, 4-methyl-5-[(1-oxopropyl)amino]-
CAS Number:
167626-94-0
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
4-methyl-5-(propanoylamino)pyridine-2-carboxylic acid
InChI:
InChI=1S/C10H12N2O3/c1-3-9(13)12-8-5-11-7(10(14)15)4-6(8)2/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
DFZSAEBIYDBZMJ-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1cnc(cc1C)C(=O)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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