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21190-87-4 | 6-Bromo-2-pyridinecarboxylic acid
CAS No: 21190-87-4 Catalog No: AG003N4Z MDL No:MFCD00093197
Product Description
Catalog Number:
AG003N4Z
Chemical Name:
6-Bromo-2-pyridinecarboxylic acid
CAS Number:
21190-87-4
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
MDL Number:
MFCD00093197
IUPAC Name:
6-bromopyridine-2-carboxylic acid
InChI:
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
InChI Key:
XURXQNUIGWHWHU-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)C(=O)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.943g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.007g/mol
Monoisotopic Mass:
200.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Diaqua-(6-bromo-picolinato-κN,O)(nitrato-κO,O)copper(II). | Acta crystallographica. Section E, Structure reports online 20110201 |
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| 6-Bromo-pyridine-2-carboxamide. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Aquabis-(6-bromo-picolinato-κN,O)copper(II). | Acta crystallographica. Section E, Structure reports online 20090101 |
| Efficient energy conversion in photochromic ruthenium DMSO complexes. | Inorganic chemistry 20060724 |
| Reactivity of halides with triplets of 6-chloro and 6-bromopicolinic acids: contrasting effects of bromide and chloride. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20060701 |
| Photochemistry of 6-chloro and 6-bromopicolinic acids in water. Heterolytic vs. homolytic photodehalogenation. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20060101 |
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