bromo 3-hydroxypyridine-2-carboxylate

C6H4BrNO3 — CID 174630799

IUPACbromo 3-hydroxypyridine-2-carboxylate
SMILESO=C(OBr)c1ncccc1O
InChIInChI=1S/C6H4BrNO3/c7-11-6(10)5-4(9)2-1-3-8-5/h1-3,9H
InChIKeyOCOMTNBKDZFULR-UHFFFAOYSA-N
MW218.01 g/mol
LogP1.25
Rot. Bonds1

About bromo 3-hydroxypyridine-2-carboxylate

bromo 3-hydroxypyridine-2-carboxylate (PubChem CID 174630799) has the molecular formula C6H4BrNO3 and a molecular weight of 218.01 g/mol. Its IUPAC name is bromo 3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namebromo 3-hydroxypyridine-2-carboxylate
PubChem CID174630799
Molecular FormulaC6H4BrNO3
Molecular Weight218.01 g/mol
Exact Mass216.94
IUPAC Namebromo 3-hydroxypyridine-2-carboxylate
SMILESO=C(OBr)c1ncccc1O
InChIInChI=1S/C6H4BrNO3/c7-11-6(10)5-4(9)2-1-3-8-5/h1-3,9H
InChIKeyOCOMTNBKDZFULR-UHFFFAOYSA-N
XLogP1.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bromo 3-methoxypyridine-2-carboxylate
CID 71151009
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate
CID 71345151
3-hydroxypyridine-2-carbohydrazide
CID 45083058
1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate
CID 142181974
tris(amino 3-hydroxypyridine-2-carboxylate);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173012990
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372247
CID 140752568
CID 140752568

Frequently Asked Questions

What is the IUPAC name of bromo 3-hydroxypyridine-2-carboxylate?
The IUPAC name of bromo 3-hydroxypyridine-2-carboxylate (CID 174630799) is bromo 3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for bromo 3-hydroxypyridine-2-carboxylate?
The canonical SMILES for bromo 3-hydroxypyridine-2-carboxylate is O=C(OBr)c1ncccc1O.
What is the InChIKey of bromo 3-hydroxypyridine-2-carboxylate?
The InChIKey is OCOMTNBKDZFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO3/c7-11-6(10)5-4(9)2-1-3-8-5/h1-3,9H.
What are the key properties of bromo 3-hydroxypyridine-2-carboxylate?
bromo 3-hydroxypyridine-2-carboxylate has a molecular weight of 218.01 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 174630799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).