(5-bromo-1H-indol-2-yl) chloro hydrogen phosphate

C8H6BrClNO4P — CID 54266014

IUPAC(5-bromo-1H-indol-2-yl) chloro hydrogen phosphate
SMILESO=P(O)(OCl)Oc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C8H6BrClNO4P/c9-6-1-2-7-5(3-6)4-8(11-7)14-16(12,13)15-10/h1-4,11H,(H,12,13)
InChIKeyRGUYCJXJIYZGEB-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.58
Rot. Bonds3

About (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate

(5-bromo-1H-indol-2-yl) chloro hydrogen phosphate (PubChem CID 54266014) has the molecular formula C8H6BrClNO4P and a molecular weight of 326.47 g/mol. Its IUPAC name is (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate.

Molecular Properties

Compound Name(5-bromo-1H-indol-2-yl) chloro hydrogen phosphate
PubChem CID54266014
Molecular FormulaC8H6BrClNO4P
Molecular Weight326.47 g/mol
Exact Mass324.89
IUPAC Name(5-bromo-1H-indol-2-yl) chloro hydrogen phosphate
SMILESO=P(O)(OCl)Oc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C8H6BrClNO4P/c9-6-1-2-7-5(3-6)4-8(11-7)14-16(12,13)15-10/h1-4,11H,(H,12,13)
InChIKeyRGUYCJXJIYZGEB-UHFFFAOYSA-N
XLogP3.58
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate?
The IUPAC name of (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate (CID 54266014) is (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate.
What is the SMILES notation for (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate?
The canonical SMILES for (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate is O=P(O)(OCl)Oc1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate?
The InChIKey is RGUYCJXJIYZGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClNO4P/c9-6-1-2-7-5(3-6)4-8(11-7)14-16(12,13)15-10/h1-4,11H,(H,12,13).
What are the key properties of (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate?
(5-bromo-1H-indol-2-yl) chloro hydrogen phosphate has a molecular weight of 326.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-2-yl) chloro hydrogen phosphate is sourced from PubChem (CID 54266014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).