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1227048-78-3

1227048-78-3 | 3-Pyridinecarboxylic acid, 2-amino-5-iodo-, methyl ester

CAS No: 1227048-78-3 Catalog No: AG000J0Q MDL No:MFCD20266452

Product Description

Catalog Number:
AG000J0Q
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-5-iodo-, methyl ester
CAS Number:
1227048-78-3
Molecular Formula:
C7H7IN2O2
Molecular Weight:
278.0472
MDL Number:
MFCD20266452
IUPAC Name:
methyl 2-amino-5-iodopyridine-3-carboxylate
InChI:
InChI=1S/C7H7IN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
InChI Key:
HUTQNYUTHDVISB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)cnc1N

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:
1.6  

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