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1456000-34-2 | 3-Pyridinecarboxylic acid, 5-bromo-2-[[(4-methoxyphenyl)methyl]amino]-
CAS No: 1456000-34-2 Catalog No: AG001D7C MDL No:MFCD22576471
Product Description
Catalog Number:
AG001D7C
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-2-[[(4-methoxyphenyl)methyl]amino]-
CAS Number:
1456000-34-2
Molecular Formula:
C14H13BrN2O3
Molecular Weight:
337.1686
MDL Number:
MFCD22576471
IUPAC Name:
5-bromo-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H13BrN2O3/c1-20-11-4-2-9(3-5-11)7-16-13-12(14(18)19)6-10(15)8-17-13/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)
InChI Key:
DQWQZYIWJHDTRH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1ncc(cc1C(=O)O)Br
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.173g/mol
Monoisotopic Mass:
336.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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