3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol

C10H10BrFN2O — CID 164872833

IUPAC3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol
SMILESNCCc1c[nH]c2c(Br)cc(O)c(F)c12
InChIInChI=1S/C10H10BrFN2O/c11-6-3-7(15)9(12)8-5(1-2-13)4-14-10(6)8/h3-4,14-15H,1-2,13H2
InChIKeyKWHJRILBFZVTKA-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.28
Rot. Bonds2

About 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol

3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol (PubChem CID 164872833) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol
PubChem CID164872833
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol
SMILESNCCc1c[nH]c2c(Br)cc(O)c(F)c12
InChIInChI=1S/C10H10BrFN2O/c11-6-3-7(15)9(12)8-5(1-2-13)4-14-10(6)8/h3-4,14-15H,1-2,13H2
InChIKeyKWHJRILBFZVTKA-UHFFFAOYSA-N
XLogP2.28
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol?
The IUPAC name of 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol (CID 164872833) is 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol is NCCc1c[nH]c2c(Br)cc(O)c(F)c12.
What is the InChIKey of 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol?
The InChIKey is KWHJRILBFZVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-6-3-7(15)9(12)8-5(1-2-13)4-14-10(6)8/h3-4,14-15H,1-2,13H2.
What are the key properties of 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol?
3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol has a molecular weight of 273.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-bromo-4-fluoro-1H-indol-5-ol is sourced from PubChem (CID 164872833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).