(5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate

C8H7BrNO5P — CID 141260475

IUPAC(5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate
SMILESO=P(O)(O)OOc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H7BrNO5P/c9-5-1-2-7-6(3-5)8(4-10-7)14-15-16(11,12)13/h1-4,10H,(H2,11,12,13)
InChIKeyABCFFPMZXCJNLU-UHFFFAOYSA-N
MW308.02 g/mol
LogP2.33
Rot. Bonds3

About (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate

(5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate (PubChem CID 141260475) has the molecular formula C8H7BrNO5P and a molecular weight of 308.02 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate
PubChem CID141260475
Molecular FormulaC8H7BrNO5P
Molecular Weight308.02 g/mol
Exact Mass306.92
IUPAC Name(5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate
SMILESO=P(O)(O)OOc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H7BrNO5P/c9-5-1-2-7-6(3-5)8(4-10-7)14-15-16(11,12)13/h1-4,10H,(H2,11,12,13)
InChIKeyABCFFPMZXCJNLU-UHFFFAOYSA-N
XLogP2.33
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate 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

(5-bromo-1H-indol-3-yl) prop-2-enoate
CID 102248258
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
(2S,3S,4S,5R,6R)-6-[(5-bromo-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 95566279
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
3-amino-6-bromo-1H-quinoline-4-thione
CID 43621506
3-(5-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 58572126

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate?
The IUPAC name of (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate (CID 141260475) is (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate?
The canonical SMILES for (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate is O=P(O)(O)OOc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate?
The InChIKey is ABCFFPMZXCJNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrNO5P/c9-5-1-2-7-6(3-5)8(4-10-7)14-15-16(11,12)13/h1-4,10H,(H2,11,12,13).
What are the key properties of (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate?
(5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate has a molecular weight of 308.02 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate is sourced from PubChem (CID 141260475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).