3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide

C10H13BrN2O2 — CID 24848648

IUPAC3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide
SMILESBr.NCCc1c[nH]c2c(O)cc(O)cc12
InChIInChI=1S/C10H12N2O2.BrH/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14;/h3-5,12-14H,1-2,11H2;1H
InChIKeyKVRZGCBQKAJSBN-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.66
Rot. Bonds2

About 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide

3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide (PubChem CID 24848648) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide
PubChem CID24848648
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide
SMILESBr.NCCc1c[nH]c2c(O)cc(O)cc12
InChIInChI=1S/C10H12N2O2.BrH/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14;/h3-5,12-14H,1-2,11H2;1H
InChIKeyKVRZGCBQKAJSBN-UHFFFAOYSA-N
XLogP1.66
TPSA82.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide?
The IUPAC name of 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide (CID 24848648) is 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide?
The canonical SMILES for 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide is Br.NCCc1c[nH]c2c(O)cc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide?
The InChIKey is KVRZGCBQKAJSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.BrH/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14;/h3-5,12-14H,1-2,11H2;1H.
What are the key properties of 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide?
3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide has a molecular weight of 273.13 g/mol, XLogP of 1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indole-5,7-diol;hydrobromide is sourced from PubChem (CID 24848648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).