2-bromo-5-nitrophenol;ethane

C8H10BrNO3 — CID 177010307

IUPAC2-bromo-5-nitrophenol;ethane
SMILESCC.O=[N+]([O-])c1ccc(Br)c(O)c1
InChIInChI=1S/C6H4BrNO3.C2H6/c7-5-2-1-4(8(10)11)3-6(5)9;1-2/h1-3,9H;1-2H3
InChIKeyWOJPXKOLWPJPBS-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.09
Rot. Bonds1

About 2-bromo-5-nitrophenol;ethane

2-bromo-5-nitrophenol;ethane (PubChem CID 177010307) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-bromo-5-nitrophenol;ethane.

Molecular Properties

Compound Name2-bromo-5-nitrophenol;ethane
PubChem CID177010307
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name2-bromo-5-nitrophenol;ethane
SMILESCC.O=[N+]([O-])c1ccc(Br)c(O)c1
InChIInChI=1S/C6H4BrNO3.C2H6/c7-5-2-1-4(8(10)11)3-6(5)9;1-2/h1-3,9H;1-2H3
InChIKeyWOJPXKOLWPJPBS-UHFFFAOYSA-N
XLogP3.09
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.09
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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Related Compounds

ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987
2-ethyl-5-nitrophenol
CID 18980077
ethane;2-methoxy-4-nitrophenol
CID 91188946
1-bromo-4-nitrobenzene;ethane
CID 91498714
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
1-bromo-2-(dibromomethyl)-4-nitrobenzene
CID 56647182
1-(2-bromo-5-nitrophenyl)-N-methylmethanamine
CID 59315032
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
azane;2,4-dinitrophenol;hydrate
CID 174664401

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitrophenol;ethane?
The IUPAC name of 2-bromo-5-nitrophenol;ethane (CID 177010307) is 2-bromo-5-nitrophenol;ethane.
What is the SMILES notation for 2-bromo-5-nitrophenol;ethane?
The canonical SMILES for 2-bromo-5-nitrophenol;ethane is CC.O=[N+]([O-])c1ccc(Br)c(O)c1.
What is the InChIKey of 2-bromo-5-nitrophenol;ethane?
The InChIKey is WOJPXKOLWPJPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO3.C2H6/c7-5-2-1-4(8(10)11)3-6(5)9;1-2/h1-3,9H;1-2H3.
What are the key properties of 2-bromo-5-nitrophenol;ethane?
2-bromo-5-nitrophenol;ethane has a molecular weight of 248.08 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitrophenol;ethane is sourced from PubChem (CID 177010307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).