3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid

C11H8BrNO4 — CID 81445559

IUPAC3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1ccc(Br)o1
InChIInChI=1S/C11H8BrNO4/c12-10-2-1-7(17-10)6-16-9-5-13-4-3-8(9)11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyLUKVURURJUPUJX-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.71
Rot. Bonds4

About 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid

3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81445559) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID81445559
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1ccc(Br)o1
InChIInChI=1S/C11H8BrNO4/c12-10-2-1-7(17-10)6-16-9-5-13-4-3-8(9)11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyLUKVURURJUPUJX-UHFFFAOYSA-N
XLogP2.71
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
CID 113281408
2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
CID 61379285
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid (CID 81445559) is 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is LUKVURURJUPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c12-10-2-1-7(17-10)6-16-9-5-13-4-3-8(9)11(14)15/h1-5H,6H2,(H,14,15).
What are the key properties of 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid?
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 298.09 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81445559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).