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1415206-83-5 | 3-Pyridinecarboxylic acid, 5-(aminomethyl)-2-(difluoromethyl)-, ethyl ester
CAS No: 1415206-83-5 Catalog No: AG001GIE MDL No:
Product Description
Catalog Number:
AG001GIE
Chemical Name:
3-Pyridinecarboxylic acid, 5-(aminomethyl)-2-(difluoromethyl)-, ethyl ester
CAS Number:
1415206-83-5
Molecular Formula:
C10H12F2N2O2
Molecular Weight:
230.2113
IUPAC Name:
ethyl 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C10H12F2N2O2/c1-2-16-10(15)7-3-6(4-13)5-14-8(7)9(11)12/h3,5,9H,2,4,13H2,1H3
InChI Key:
LKGNXKNZWHTLAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CN)cnc1C(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.215g/mol
Monoisotopic Mass:
230.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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