(7-bromo-5-fluoro-1H-indol-4-yl) acetate

C10H7BrFNO2 — CID 170790781

IUPAC(7-bromo-5-fluoro-1H-indol-4-yl) acetate
SMILESCC(=O)Oc1c(F)cc(Br)c2[nH]ccc12
InChIInChI=1S/C10H7BrFNO2/c1-5(14)15-10-6-2-3-13-9(6)7(11)4-8(10)12/h2-4,13H,1H3
InChIKeyUDYMOLAADGPRTK-UHFFFAOYSA-N
MW272.07 g/mol
LogP2.99
Rot. Bonds1

About (7-bromo-5-fluoro-1H-indol-4-yl) acetate

(7-bromo-5-fluoro-1H-indol-4-yl) acetate (PubChem CID 170790781) has the molecular formula C10H7BrFNO2 and a molecular weight of 272.07 g/mol. Its IUPAC name is (7-bromo-5-fluoro-1H-indol-4-yl) acetate.

Molecular Properties

Compound Name(7-bromo-5-fluoro-1H-indol-4-yl) acetate
PubChem CID170790781
Molecular FormulaC10H7BrFNO2
Molecular Weight272.07 g/mol
Exact Mass270.96
IUPAC Name(7-bromo-5-fluoro-1H-indol-4-yl) acetate
SMILESCC(=O)Oc1c(F)cc(Br)c2[nH]ccc12
InChIInChI=1S/C10H7BrFNO2/c1-5(14)15-10-6-2-3-13-9(6)7(11)4-8(10)12/h2-4,13H,1H3
InChIKeyUDYMOLAADGPRTK-UHFFFAOYSA-N
XLogP2.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-5-fluoro-1H-indol-4-yl) acetate?
The IUPAC name of (7-bromo-5-fluoro-1H-indol-4-yl) acetate (CID 170790781) is (7-bromo-5-fluoro-1H-indol-4-yl) acetate.
What is the SMILES notation for (7-bromo-5-fluoro-1H-indol-4-yl) acetate?
The canonical SMILES for (7-bromo-5-fluoro-1H-indol-4-yl) acetate is CC(=O)Oc1c(F)cc(Br)c2[nH]ccc12.
What is the InChIKey of (7-bromo-5-fluoro-1H-indol-4-yl) acetate?
The InChIKey is UDYMOLAADGPRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2/c1-5(14)15-10-6-2-3-13-9(6)7(11)4-8(10)12/h2-4,13H,1H3.
What are the key properties of (7-bromo-5-fluoro-1H-indol-4-yl) acetate?
(7-bromo-5-fluoro-1H-indol-4-yl) acetate has a molecular weight of 272.07 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5-fluoro-1H-indol-4-yl) acetate is sourced from PubChem (CID 170790781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).