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1249355-76-7 | 2-Isopropylamino-nicotinic acid methyl ester
CAS No: 1249355-76-7 Catalog No: AG01FALG MDL No:
Product Description
Catalog Number:
AG01FALG
Chemical Name:
2-Isopropylamino-nicotinic acid methyl ester
CAS Number:
1249355-76-7
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
methyl 2-(propan-2-ylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C10H14N2O2/c1-7(2)12-9-8(10(13)14-3)5-4-6-11-9/h4-7H,1-3H3,(H,11,12)
InChI Key:
JONFJMAYRJUUJO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccnc1NC(C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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