2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)

C7H11Br2NO7P2+2 — CID 87914505

IUPAC2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)
SMILESCNc1cc(Br)c(O)c(Br)c1.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C7H7Br2NO.2HO3P/c1-10-4-2-5(8)7(11)6(9)3-4;2*1-4(2)3/h2-3,10-11H,1H3;2*(H-,1,2,3)/p+2
InChIKeyJDKCGMWMVADNMW-UHFFFAOYSA-P
MW442.92 g/mol
LogP2.22
Rot. Bonds1

About 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)

2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium) (PubChem CID 87914505) has the molecular formula C7H11Br2NO7P2+2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium).

Molecular Properties

Compound Name2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)
PubChem CID87914505
Molecular FormulaC7H11Br2NO7P2+2
Molecular Weight442.92 g/mol
Exact Mass440.84
IUPAC Name2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)
SMILESCNc1cc(Br)c(O)c(Br)c1.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C7H7Br2NO.2HO3P/c1-10-4-2-5(8)7(11)6(9)3-4;2*1-4(2)3/h2-3,10-11H,1H3;2*(H-,1,2,3)/p+2
InChIKeyJDKCGMWMVADNMW-UHFFFAOYSA-P
XLogP2.22
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.92
LogP ≤ 52.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)?
The IUPAC name of 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium) (CID 87914505) is 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium).
What is the SMILES notation for 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)?
The canonical SMILES for 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium) is CNc1cc(Br)c(O)c(Br)c1.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)?
The InChIKey is JDKCGMWMVADNMW-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H7Br2NO.2HO3P/c1-10-4-2-5(8)7(11)6(9)3-4;2*1-4(2)3/h2-3,10-11H,1H3;2*(H-,1,2,3)/p+2.
What are the key properties of 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium)?
2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium) has a molecular weight of 442.92 g/mol, XLogP of 2.22, 1 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(methylamino)phenol;bis(dihydroxy(oxo)phosphanium) is sourced from PubChem (CID 87914505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).