potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid

C8H7BrClKNO4P — CID 175419743

IUPACpotassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid
SMILESClc1c(Br)ccc2[nH]c[c-]c12.O=P(O)(O)O.[K+]
InChIInChI=1S/C8H4BrClN.K.H3O4P/c9-6-1-2-7-5(8(6)10)3-4-11-7;;1-5(2,3)4/h1-2,4,11H;;(H3,1,2,3,4)/q-1;+1;
InChIKeyFFTITAFSEWTJFH-UHFFFAOYSA-N
MW366.58 g/mol
LogP-0.54
Rot. Bonds

About potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid

potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid (PubChem CID 175419743) has the molecular formula C8H7BrClKNO4P and a molecular weight of 366.58 g/mol. Its IUPAC name is potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid.

Molecular Properties

Compound Namepotassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid
PubChem CID175419743
Molecular FormulaC8H7BrClKNO4P
Molecular Weight366.58 g/mol
Exact Mass364.86
IUPAC Namepotassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid
SMILESClc1c(Br)ccc2[nH]c[c-]c12.O=P(O)(O)O.[K+]
InChIInChI=1S/C8H4BrClN.K.H3O4P/c9-6-1-2-7-5(8(6)10)3-4-11-7;;1-5(2,3)4/h1-2,4,11H;;(H3,1,2,3,4)/q-1;+1;
InChIKeyFFTITAFSEWTJFH-UHFFFAOYSA-N
XLogP-0.54
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric 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
[(2S,3S,5R,6S)-1-(5-bromo-4-chloro-1H-indol-3-yl)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
CID 67541642
5-bromo-4-chloro-1H-indol-3-ol;phosphorous acid
CID 69379788
azane;(5-bromo-4-chloro-1H-indol-3-yl) [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
CID 90471036
5-bromo-4-chloro-3-methyl-1H-indole
CID 58220952
(5-bromo-4-chloro-1H-indol-3-yl) [(2R,3S,5R,6R)-1,2,3,4,5,6-hexahydroxycyclohexyl] hydrogen phosphate
CID 174758469
(5-bromo-4-chloro-1H-indol-3-yl) hydrogen phosphate;(4-methylphenyl)azanium
CID 24801987
(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate;4-methylbenzamide
CID 175471413
(4-aminophenyl)methyl (5-bromo-4-chloro-1H-indol-3-yl) hydrogen phosphate
CID 11453249
6-bromo-5-chloro-1H-quinazoline-2,4-dione
CID 19604402
1,4-dichlorobenzene;phosphoric acid
CID 175035024
(3-bromo-2-chlorophenyl) dihydrogen phosphate
CID 54375223

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid?
The IUPAC name of potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid (CID 175419743) is potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid.
What is the SMILES notation for potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid?
The canonical SMILES for potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid is Clc1c(Br)ccc2[nH]c[c-]c12.O=P(O)(O)O.[K+].
What is the InChIKey of potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid?
The InChIKey is FFTITAFSEWTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN.K.H3O4P/c9-6-1-2-7-5(8(6)10)3-4-11-7;;1-5(2,3)4/h1-2,4,11H;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid?
potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid has a molecular weight of 366.58 g/mol, XLogP of -0.54, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-bromo-4-chloro-1,3-dihydroindol-3-ide;phosphoric acid is sourced from PubChem (CID 175419743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).