2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid

C13H14BrNO4 — CID 175144786

IUPAC2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid
SMILESCCCCCc1nc(C(=O)O)c(O)c2cc(Br)oc12
InChIInChI=1S/C13H14BrNO4/c1-2-3-4-5-8-12-7(6-9(14)19-12)11(16)10(15-8)13(17)18/h6,16H,2-5H2,1H3,(H,17,18)
InChIKeyXAWIQUPIUFCOMA-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.73
Rot. Bonds5

About 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid

2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid (PubChem CID 175144786) has the molecular formula C13H14BrNO4 and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid
PubChem CID175144786
Molecular FormulaC13H14BrNO4
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid
SMILESCCCCCc1nc(C(=O)O)c(O)c2cc(Br)oc12
InChIInChI=1S/C13H14BrNO4/c1-2-3-4-5-8-12-7(6-9(14)19-12)11(16)10(15-8)13(17)18/h6,16H,2-5H2,1H3,(H,17,18)
InChIKeyXAWIQUPIUFCOMA-UHFFFAOYSA-N
XLogP3.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 68515406
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CID 170987109
4,12-dibromo-8-hexyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione
CID 155481618
2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid
CID 165484493
4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779
2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid
CID 83901348
2-bromo-4-hexyl-5-iodo-1,3-oxazole
CID 58017999
6-butoxy-1-butyl-3-carboxyisoquinolin-4-olate
CID 54687383
6-butoxy-3-hydroxypyridine-2-carboxylic acid
CID 19960286
6-chloro-8-methyl-2-pentylquinazoline-4-carboxylic acid
CID 165482746
3-hexadecyl-2-hydroxynaphthalene-1-carboxylic acid
CID 21475806
3-pentylquinoxaline-2-carboxamide
CID 141031163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid (CID 175144786) is 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid is CCCCCc1nc(C(=O)O)c(O)c2cc(Br)oc12.
What is the InChIKey of 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is XAWIQUPIUFCOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4/c1-2-3-4-5-8-12-7(6-9(14)19-12)11(16)10(15-8)13(17)18/h6,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid?
2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 328.16 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 175144786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).