methyl 6-bromo-5-hydroxypyridine-2-carboxylate

C7H6BrNO3 — CID 15281236

IUPACmethyl 6-bromo-5-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(O)c(Br)n1
InChIInChI=1S/C7H6BrNO3/c1-12-7(11)4-2-3-5(10)6(8)9-4/h2-3,10H,1H3
InChIKeyGAVHSGPZDJCNDR-UHFFFAOYSA-N
MW232.03 g/mol
LogP1.34
Rot. Bonds1

About methyl 6-bromo-5-hydroxypyridine-2-carboxylate

methyl 6-bromo-5-hydroxypyridine-2-carboxylate (PubChem CID 15281236) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is methyl 6-bromo-5-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-5-hydroxypyridine-2-carboxylate
PubChem CID15281236
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Namemethyl 6-bromo-5-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(O)c(Br)n1
InChIInChI=1S/C7H6BrNO3/c1-12-7(11)4-2-3-5(10)6(8)9-4/h2-3,10H,1H3
InChIKeyGAVHSGPZDJCNDR-UHFFFAOYSA-N
XLogP1.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
methyl 6-bromo-5-[(Z)-2-bromoethenyl]pyridine-2-carboxylate
CID 135084161
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 6-bromo-5-prop-2-enoxypyridine-2-carboxylate
CID 23657913
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
CID 156651434
CID 156651434
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-5-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 6-bromo-5-hydroxypyridine-2-carboxylate (CID 15281236) is methyl 6-bromo-5-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-5-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-5-hydroxypyridine-2-carboxylate is COC(=O)c1ccc(O)c(Br)n1.
What is the InChIKey of methyl 6-bromo-5-hydroxypyridine-2-carboxylate?
The InChIKey is GAVHSGPZDJCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-3-5(10)6(8)9-4/h2-3,10H,1H3.
What are the key properties of methyl 6-bromo-5-hydroxypyridine-2-carboxylate?
methyl 6-bromo-5-hydroxypyridine-2-carboxylate has a molecular weight of 232.03 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-5-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 15281236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).