(2-hydroxy-5-nitrophenyl)methylphosphanium bromide

C7H9BrNO3P — CID 158775878

IUPAC(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
SMILESO=[N+]([O-])c1ccc(O)c(C[PH3+])c1.[Br-]
InChIInChI=1S/C7H8NO3P.BrH/c9-7-2-1-6(8(10)11)3-5(7)4-12;/h1-3,9H,4,12H2;1H
InChIKeyJYPTXWSTXBFMBS-UHFFFAOYSA-N
MW266.03 g/mol
LogP-1.59
Rot. Bonds2

About (2-hydroxy-5-nitrophenyl)methylphosphanium bromide

(2-hydroxy-5-nitrophenyl)methylphosphanium bromide (PubChem CID 158775878) has the molecular formula C7H9BrNO3P and a molecular weight of 266.03 g/mol. Its IUPAC name is (2-hydroxy-5-nitrophenyl)methylphosphanium bromide.

Molecular Properties

Compound Name(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
PubChem CID158775878
Molecular FormulaC7H9BrNO3P
Molecular Weight266.03 g/mol
Exact Mass264.95
IUPAC Name(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
SMILESO=[N+]([O-])c1ccc(O)c(C[PH3+])c1.[Br-]
InChIInChI=1S/C7H8NO3P.BrH/c9-7-2-1-6(8(10)11)3-5(7)4-12;/h1-3,9H,4,12H2;1H
InChIKeyJYPTXWSTXBFMBS-UHFFFAOYSA-N
XLogP-1.59
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.03
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-4-nitrophenol
CID 2115073
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
4-nitro-2-[(propan-2-ylamino)methyl]phenol
CID 42801427
2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
CID 68609298
4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol
CID 3812937
(2-hydroxy-5-nitrophenyl)methyl acetate
CID 68967158
2-[[2-(dimethylamino)ethyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]methyl]-4-nitrophenol
CID 71372012
2-[(2-hydroxyanilino)methyl]-4-nitrophenol
CID 83321921
4-nitro-2-(propylaminomethyl)phenol
CID 62071273
3-(2-hydroxy-5-nitrophenyl)-2-methylpropanoic acid
CID 117322793

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-nitrophenyl)methylphosphanium bromide?
The IUPAC name of (2-hydroxy-5-nitrophenyl)methylphosphanium bromide (CID 158775878) is (2-hydroxy-5-nitrophenyl)methylphosphanium bromide.
What is the SMILES notation for (2-hydroxy-5-nitrophenyl)methylphosphanium bromide?
The canonical SMILES for (2-hydroxy-5-nitrophenyl)methylphosphanium bromide is O=[N+]([O-])c1ccc(O)c(C[PH3+])c1.[Br-].
What is the InChIKey of (2-hydroxy-5-nitrophenyl)methylphosphanium bromide?
The InChIKey is JYPTXWSTXBFMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3P.BrH/c9-7-2-1-6(8(10)11)3-5(7)4-12;/h1-3,9H,4,12H2;1H.
What are the key properties of (2-hydroxy-5-nitrophenyl)methylphosphanium bromide?
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide has a molecular weight of 266.03 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-nitrophenyl)methylphosphanium bromide is sourced from PubChem (CID 158775878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).