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88482-15-9 | 4-Pyridinecarboxylic acid, 5-iodo-2-methyl-, methyl ester
CAS No: 88482-15-9 Catalog No: AG0049I6 MDL No:
Product Description
Catalog Number:
AG0049I6
Chemical Name:
4-Pyridinecarboxylic acid, 5-iodo-2-methyl-, methyl ester
CAS Number:
88482-15-9
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
IUPAC Name:
methyl 5-iodo-2-methylpyridine-4-carboxylate
InChI:
InChI=1S/C8H8INO2/c1-5-3-6(8(11)12-2)7(9)4-10-5/h3-4H,1-2H3
InChI Key:
DCXIUGBPQMAPMW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)ncc1I
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.061g/mol
Monoisotopic Mass:
276.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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