2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol

C11H11BrFNO2 — CID 176563812

IUPAC2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol
SMILESOCC(CO)n1ccc2c(F)c(Br)ccc21
InChIInChI=1S/C11H11BrFNO2/c12-9-1-2-10-8(11(9)13)3-4-14(10)7(5-15)6-16/h1-4,7,15-16H,5-6H2
InChIKeyGZBWLQJPEDQCFM-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.07
Rot. Bonds3

About 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol

2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol (PubChem CID 176563812) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol
PubChem CID176563812
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol
SMILESOCC(CO)n1ccc2c(F)c(Br)ccc21
InChIInChI=1S/C11H11BrFNO2/c12-9-1-2-10-8(11(9)13)3-4-14(10)7(5-15)6-16/h1-4,7,15-16H,5-6H2
InChIKeyGZBWLQJPEDQCFM-UHFFFAOYSA-N
XLogP2.07
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-5-Bromo-1H-Indole
CID 285756
5-Bromo-1-methyl-1H-indole
CID 285757
(1S,2R)-1-(5-bromo-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483104
3-(3,6-Dibromocarbazol-9-yl)propane-1,2-diol
CID 2802029
3-Bromo-1-methyl-1H-indole
CID 13357736
1H-Indole-1-ethanol
CID 13734996
7-Bromo-1-methyl-1H-indole
CID 21950069
5-Bromo-1-ethyl-1H-indole
CID 4383959
3-(5-bromo-1H-indol-1-yl)propanoic acid
CID 17571585
1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine
CID 132510885
5-Bromo-1-isopropyl-1H-indole
CID 4605882
1H-Indole-1-propanol
CID 15981606

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol?
The IUPAC name of 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol (CID 176563812) is 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol.
What is the SMILES notation for 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol?
The canonical SMILES for 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol is OCC(CO)n1ccc2c(F)c(Br)ccc21.
What is the InChIKey of 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol?
The InChIKey is GZBWLQJPEDQCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-9-1-2-10-8(11(9)13)3-4-14(10)7(5-15)6-16/h1-4,7,15-16H,5-6H2.
What are the key properties of 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol?
2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol has a molecular weight of 288.12 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoroindol-1-yl)propane-1,3-diol is sourced from PubChem (CID 176563812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).