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211308-80-4 | 3-Pyridinecarboxylic acid, 6-amino-5-iodo-, methyl ester
CAS No: 211308-80-4 Catalog No: AG002L9I MDL No:MFCD16660021
Product Description
Catalog Number:
AG002L9I
Chemical Name:
3-Pyridinecarboxylic acid, 6-amino-5-iodo-, methyl ester
CAS Number:
211308-80-4
Molecular Formula:
C7H7IN2O2
Molecular Weight:
278.0472
MDL Number:
MFCD16660021
IUPAC Name:
methyl 6-amino-5-iodopyridine-3-carboxylate
InChI:
InChI=1S/C7H7IN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10)
InChI Key:
CJSCVGMGFVSANX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)I)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.955g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.049g/mol
Monoisotopic Mass:
277.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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