5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid

C14H10BrNO3 — CID 62269393

IUPAC5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C14H10BrNO3/c15-11-1-2-13-9(5-11)3-4-16(13)7-12-6-10(8-19-12)14(17)18/h1-6,8H,7H2,(H,17,18)
InChIKeyLOQMXHMXPPANMB-UHFFFAOYSA-N
MW320.14 g/mol
LogP3.74
Rot. Bonds3

About 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid

5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 62269393) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid
PubChem CID62269393
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C14H10BrNO3/c15-11-1-2-13-9(5-11)3-4-16(13)7-12-6-10(8-19-12)14(17)18/h1-6,8H,7H2,(H,17,18)
InChIKeyLOQMXHMXPPANMB-UHFFFAOYSA-N
XLogP3.74
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid (CID 62269393) is 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid is O=C(O)c1coc(Cn2ccc3cc(Br)ccc32)c1.
What is the InChIKey of 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is LOQMXHMXPPANMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-11-1-2-13-9(5-11)3-4-16(13)7-12-6-10(8-19-12)14(17)18/h1-6,8H,7H2,(H,17,18).
What are the key properties of 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid?
5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 320.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62269393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).