5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid

C8H8BrClNO4P — CID 69379788

IUPAC5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid
SMILESOP(O)O.Oc1c[nH]c2ccc(Br)c(Cl)c12
InChIInChI=1S/C8H5BrClNO.H3O3P/c9-4-1-2-5-7(8(4)10)6(12)3-11-5;1-4(2)3/h1-3,11-12H;1-3H
InChIKeyKOAFACSHTPCHCN-UHFFFAOYSA-N
MW328.49 g/mol
LogP2.48
Rot. Bonds

About 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid

5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid (PubChem CID 69379788) has the molecular formula C8H8BrClNO4P and a molecular weight of 328.49 g/mol. Its IUPAC name is 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid.

Molecular Properties

Compound Name5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid
PubChem CID69379788
Molecular FormulaC8H8BrClNO4P
Molecular Weight328.49 g/mol
Exact Mass326.91
IUPAC Name5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid
SMILESOP(O)O.Oc1c[nH]c2ccc(Br)c(Cl)c12
InChIInChI=1S/C8H5BrClNO.H3O3P/c9-4-1-2-5-7(8(4)10)6(12)3-11-5;1-4(2)3/h1-3,11-12H;1-3H
InChIKeyKOAFACSHTPCHCN-UHFFFAOYSA-N
XLogP2.48
TPSA96.71 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid 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-4-chloro-1H-indol-3-ol;4-methylaniline;phosphoric acid
CID 174435153
5-bromo-4-chloro-3-methyl-1H-indole
CID 58220952
18-(5-bromo-4-chloro-1H-indol-3-yl)octadecanoic acid
CID 150939614
5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole
CID 175557064
(2R,3R,4R,5R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
CID 26470689
(2S,3R,4R,5S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 139627498
N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide
CID 172641517
(2S,4R,5R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-methyloxane-3,4,5-triol
CID 24801958
[(2S,3S,5R,6S)-1-(5-bromo-4-chloro-1H-indol-3-yl)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
CID 67541642
(2S,4S,5R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46780889
azane;(5-bromo-4-chloro-1H-indol-3-yl) [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
CID 90471036
(2R,3R,4R,5S,6S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 51403940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid?
The IUPAC name of 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid (CID 69379788) is 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid.
What is the SMILES notation for 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid?
The canonical SMILES for 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid is OP(O)O.Oc1c[nH]c2ccc(Br)c(Cl)c12.
What is the InChIKey of 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid?
The InChIKey is KOAFACSHTPCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO.H3O3P/c9-4-1-2-5-7(8(4)10)6(12)3-11-5;1-4(2)3/h1-3,11-12H;1-3H.
What are the key properties of 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid?
5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid has a molecular weight of 328.49 g/mol, XLogP of 2.48, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid is sourced from PubChem (CID 69379788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).