2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol

C14H17BrN2O2 — CID 171080111

IUPAC2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol
SMILESOCC1CCN1CCc1c(Br)[nH]c2cccc(O)c12
InChIInChI=1S/C14H17BrN2O2/c15-14-10(5-7-17-6-4-9(17)8-18)13-11(16-14)2-1-3-12(13)19/h1-3,9,16,18-19H,4-8H2
InChIKeyGSTROJPSIYUSNE-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.25
Rot. Bonds4

About 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol

2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol (PubChem CID 171080111) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol
PubChem CID171080111
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol
SMILESOCC1CCN1CCc1c(Br)[nH]c2cccc(O)c12
InChIInChI=1S/C14H17BrN2O2/c15-14-10(5-7-17-6-4-9(17)8-18)13-11(16-14)2-1-3-12(13)19/h1-3,9,16,18-19H,4-8H2
InChIKeyGSTROJPSIYUSNE-UHFFFAOYSA-N
XLogP2.25
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol?
The IUPAC name of 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol (CID 171080111) is 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol.
What is the SMILES notation for 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol?
The canonical SMILES for 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol is OCC1CCN1CCc1c(Br)[nH]c2cccc(O)c12.
What is the InChIKey of 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol?
The InChIKey is GSTROJPSIYUSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-14-10(5-7-17-6-4-9(17)8-18)13-11(16-14)2-1-3-12(13)19/h1-3,9,16,18-19H,4-8H2.
What are the key properties of 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol?
2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol has a molecular weight of 325.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[2-[2-(hydroxymethyl)azetidin-1-yl]ethyl]-1H-indol-4-ol is sourced from PubChem (CID 171080111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).