6-bromo-1H-indol-3-ol;phosphoric acid

C8H9BrNO5P — CID 135389689

IUPAC6-bromo-1H-indol-3-ol;phosphoric acid
SMILESO=P(O)(O)O.Oc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C8H6BrNO.H3O4P/c9-5-1-2-6-7(3-5)10-4-8(6)11;1-5(2,3)4/h1-4,10-11H;(H3,1,2,3,4)
InChIKeyLIRPMZBBRBIGDV-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.71
Rot. Bonds

About 6-bromo-1H-indol-3-ol;phosphoric acid

6-bromo-1H-indol-3-ol;phosphoric acid (PubChem CID 135389689) has the molecular formula C8H9BrNO5P and a molecular weight of 310.04 g/mol. Its IUPAC name is 6-bromo-1H-indol-3-ol;phosphoric acid.

Molecular Properties

Compound Name6-bromo-1H-indol-3-ol;phosphoric acid
PubChem CID135389689
Molecular FormulaC8H9BrNO5P
Molecular Weight310.04 g/mol
Exact Mass308.94
IUPAC Name6-bromo-1H-indol-3-ol;phosphoric acid
SMILESO=P(O)(O)O.Oc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C8H6BrNO.H3O4P/c9-5-1-2-6-7(3-5)10-4-8(6)11;1-5(2,3)4/h1-4,10-11H;(H3,1,2,3,4)
InChIKeyLIRPMZBBRBIGDV-UHFFFAOYSA-N
XLogP1.71
TPSA113.78 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 51.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1H-indol-3-ol;octanoic acid
CID 174613949
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
CID 84712066
N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
(E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoic acid
CID 14847255
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)propan-2-yl]-1H-indole
CID 155941539
6-bromo-3-isocyano-1H-indole
CID 59831783
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(5-bromo-1H-indol-3-yl)oxy dihydrogen phosphate
CID 141260475
6-bromo-1H-indole;6-bromo-1H-indole-3-carbaldehyde
CID 157347826
2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine
CID 88853409

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indol-3-ol;phosphoric acid?
The IUPAC name of 6-bromo-1H-indol-3-ol;phosphoric acid (CID 135389689) is 6-bromo-1H-indol-3-ol;phosphoric acid.
What is the SMILES notation for 6-bromo-1H-indol-3-ol;phosphoric acid?
The canonical SMILES for 6-bromo-1H-indol-3-ol;phosphoric acid is O=P(O)(O)O.Oc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1H-indol-3-ol;phosphoric acid?
The InChIKey is LIRPMZBBRBIGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO.H3O4P/c9-5-1-2-6-7(3-5)10-4-8(6)11;1-5(2,3)4/h1-4,10-11H;(H3,1,2,3,4).
What are the key properties of 6-bromo-1H-indol-3-ol;phosphoric acid?
6-bromo-1H-indol-3-ol;phosphoric acid has a molecular weight of 310.04 g/mol, XLogP of 1.71, 0 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indol-3-ol;phosphoric acid is sourced from PubChem (CID 135389689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).