2-bromo-4-nitrophenol

C6H4BrNO3 — CID 22109

IUPAC2-bromo-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(Br)c1
InChIInChI=1S/C6H4BrNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKeyDCIPFSYBGTWYCR-UHFFFAOYSA-N
MW218.01 g/mol
LogP2.06
Rot. Bonds1

About 2-bromo-4-nitrophenol

2-bromo-4-nitrophenol (PubChem CID 22109) has the molecular formula C6H4BrNO3 and a molecular weight of 218.01 g/mol. Its IUPAC name is 2-bromo-4-nitrophenol.

Molecular Properties

Compound Name2-bromo-4-nitrophenol
PubChem CID22109
Molecular FormulaC6H4BrNO3
Molecular Weight218.01 g/mol
Exact Mass216.94
IUPAC Name2-bromo-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(Br)c1
InChIInChI=1S/C6H4BrNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKeyDCIPFSYBGTWYCR-UHFFFAOYSA-N
XLogP2.06
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 52.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitrophenol?
The IUPAC name of 2-bromo-4-nitrophenol (CID 22109) is 2-bromo-4-nitrophenol.
What is the SMILES notation for 2-bromo-4-nitrophenol?
The canonical SMILES for 2-bromo-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-nitrophenol?
The InChIKey is DCIPFSYBGTWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H.
What are the key properties of 2-bromo-4-nitrophenol?
2-bromo-4-nitrophenol has a molecular weight of 218.01 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitrophenol is sourced from PubChem (CID 22109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).