disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate

C8H4BrClNNa2O4P — CID 21189358

IUPACdisodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate
SMILESO=P([O-])([O-])Oc1c[nH]c2cc(Cl)c(Br)cc12.[Na+].[Na+]
InChIInChI=1S/C8H6BrClNO4P.2Na/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2
InChIKeyYSYZSUYFGCLJJB-UHFFFAOYSA-L
MW370.43 g/mol
LogP-4.20
Rot. Bonds2

About disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate

disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate (PubChem CID 21189358) has the molecular formula C8H4BrClNNa2O4P and a molecular weight of 370.43 g/mol. Its IUPAC name is disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate.

Molecular Properties

Compound Namedisodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate
PubChem CID21189358
Molecular FormulaC8H4BrClNNa2O4P
Molecular Weight370.43 g/mol
Exact Mass368.85
IUPAC Namedisodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate
SMILESO=P([O-])([O-])Oc1c[nH]c2cc(Cl)c(Br)cc12.[Na+].[Na+]
InChIInChI=1S/C8H6BrClNO4P.2Na/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2
InChIKeyYSYZSUYFGCLJJB-UHFFFAOYSA-L
XLogP-4.20
TPSA88.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-4.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate?
The IUPAC name of disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate (CID 21189358) is disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate.
What is the SMILES notation for disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate?
The canonical SMILES for disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate is O=P([O-])([O-])Oc1c[nH]c2cc(Cl)c(Br)cc12.[Na+].[Na+].
What is the InChIKey of disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate?
The InChIKey is YSYZSUYFGCLJJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6BrClNO4P.2Na/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate?
disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate has a molecular weight of 370.43 g/mol, XLogP of -4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate is sourced from PubChem (CID 21189358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).