3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol

C11H13BrN2O2 — CID 170829404

IUPAC3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2O2/c12-6-1-2-7-8(5-14-9(7)3-6)11(16)10(15)4-13/h1-3,5,10-11,14-16H,4,13H2
InChIKeyYILZPOYJUPAWAC-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol

3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol (PubChem CID 170829404) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
PubChem CID170829404
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2O2/c12-6-1-2-7-8(5-14-9(7)3-6)11(16)10(15)4-13/h1-3,5,10-11,14-16H,4,13H2
InChIKeyYILZPOYJUPAWAC-UHFFFAOYSA-N
XLogP1.28
TPSA82.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(6-bromo-1H-indol-3-yl)butanoic acid
CID 165476099
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol
CID 82277649
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
CID 119082213
1-(6-chloro-1H-indol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821278
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
CID 84712066
methyl 3-(3-bromo-1,2-dihydroxypropyl)-1H-indole-6-carboxylate
CID 171861364
2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile
CID 10422893
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
(2R)-2-(6-bromo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 101100300

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol (CID 170829404) is 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol is NCC(O)C(O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol?
The InChIKey is YILZPOYJUPAWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-6-1-2-7-8(5-14-9(7)3-6)11(16)10(15)4-13/h1-3,5,10-11,14-16H,4,13H2.
What are the key properties of 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol?
3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol has a molecular weight of 285.14 g/mol, XLogP of 1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol is sourced from PubChem (CID 170829404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).