bromo 3-methoxypyridine-2-carboxylate

C7H6BrNO3 — CID 71151009

IUPACbromo 3-methoxypyridine-2-carboxylate
SMILESCOc1cccnc1C(=O)OBr
InChIInChI=1S/C7H6BrNO3/c1-11-5-3-2-4-9-6(5)7(10)12-8/h2-4H,1H3
InChIKeyFUMXXWWBIKUGPP-UHFFFAOYSA-N
MW232.03 g/mol
LogP1.56
Rot. Bonds2

About bromo 3-methoxypyridine-2-carboxylate

bromo 3-methoxypyridine-2-carboxylate (PubChem CID 71151009) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is bromo 3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namebromo 3-methoxypyridine-2-carboxylate
PubChem CID71151009
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Namebromo 3-methoxypyridine-2-carboxylate
SMILESCOc1cccnc1C(=O)OBr
InChIInChI=1S/C7H6BrNO3/c1-11-5-3-2-4-9-6(5)7(10)12-8/h2-4H,1H3
InChIKeyFUMXXWWBIKUGPP-UHFFFAOYSA-N
XLogP1.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bromo 3-hydroxypyridine-2-carboxylate
CID 174630799
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
3-methoxy-2-prop-1-en-2-ylpyridine
CID 146416836
(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone
CID 114053733
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943513
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112

Frequently Asked Questions

What is the IUPAC name of bromo 3-methoxypyridine-2-carboxylate?
The IUPAC name of bromo 3-methoxypyridine-2-carboxylate (CID 71151009) is bromo 3-methoxypyridine-2-carboxylate.
What is the SMILES notation for bromo 3-methoxypyridine-2-carboxylate?
The canonical SMILES for bromo 3-methoxypyridine-2-carboxylate is COc1cccnc1C(=O)OBr.
What is the InChIKey of bromo 3-methoxypyridine-2-carboxylate?
The InChIKey is FUMXXWWBIKUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3/c1-11-5-3-2-4-9-6(5)7(10)12-8/h2-4H,1H3.
What are the key properties of bromo 3-methoxypyridine-2-carboxylate?
bromo 3-methoxypyridine-2-carboxylate has a molecular weight of 232.03 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 71151009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).