5-bromo-3-hydroxypyridine-2-carboxylic acid

C6H4BrNO3 — CID 46315212

IUPAC5-bromo-3-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)cc1O
InChIInChI=1S/C6H4BrNO3/c7-3-1-4(9)5(6(10)11)8-2-3/h1-2,9H,(H,10,11)
InChIKeyKNYSNNRQXSFAGE-UHFFFAOYSA-N
MW218.01 g/mol
LogP1.25
Rot. Bonds1

About 5-bromo-3-hydroxypyridine-2-carboxylic acid

5-bromo-3-hydroxypyridine-2-carboxylic acid (PubChem CID 46315212) has the molecular formula C6H4BrNO3 and a molecular weight of 218.01 g/mol. Its IUPAC name is 5-bromo-3-hydroxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-hydroxypyridine-2-carboxylic acid
PubChem CID46315212
Molecular FormulaC6H4BrNO3
Molecular Weight218.01 g/mol
Exact Mass216.94
IUPAC Name5-bromo-3-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)cc1O
InChIInChI=1S/C6H4BrNO3/c7-3-1-4(9)5(6(10)11)8-2-3/h1-2,9H,(H,10,11)
InChIKeyKNYSNNRQXSFAGE-UHFFFAOYSA-N
XLogP1.25
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-formylpyridine-2-carboxylic acid
CID 90456773
propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
CID 133062597
5-bromo-3-tert-butylpyridine-2-carboxylic acid
CID 84729396
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
5-bromo-3-(cyanomethyl)pyridine-2-carboxylic acid
CID 175885171
3,6-dibromo-1,8-naphthyridine-2-carboxylic acid
CID 127256117
3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid
CID 133091355
3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133092347
2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid
CID 175594359
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
CID 142369382
5-(2,4-dichlorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 133093044

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxypyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-3-hydroxypyridine-2-carboxylic acid (CID 46315212) is 5-bromo-3-hydroxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-hydroxypyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-hydroxypyridine-2-carboxylic acid is O=C(O)c1ncc(Br)cc1O.
What is the InChIKey of 5-bromo-3-hydroxypyridine-2-carboxylic acid?
The InChIKey is KNYSNNRQXSFAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO3/c7-3-1-4(9)5(6(10)11)8-2-3/h1-2,9H,(H,10,11).
What are the key properties of 5-bromo-3-hydroxypyridine-2-carboxylic acid?
5-bromo-3-hydroxypyridine-2-carboxylic acid has a molecular weight of 218.01 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxypyridine-2-carboxylic acid is sourced from PubChem (CID 46315212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).