nitro 5-fluoro-2-hydroxy-3-methylbenzoate

C8H6FNO5 — CID 175014292

IUPACnitro 5-fluoro-2-hydroxy-3-methylbenzoate
SMILESCc1cc(F)cc(C(=O)O[N+](=O)[O-])c1O
InChIInChI=1S/C8H6FNO5/c1-4-2-5(9)3-6(7(4)11)8(12)15-10(13)14/h2-3,11H,1H3
InChIKeyKTZRCAIIIHBSTM-UHFFFAOYSA-N
MW215.14 g/mol
LogP1.19
Rot. Bonds2

About nitro 5-fluoro-2-hydroxy-3-methylbenzoate

nitro 5-fluoro-2-hydroxy-3-methylbenzoate (PubChem CID 175014292) has the molecular formula C8H6FNO5 and a molecular weight of 215.14 g/mol. Its IUPAC name is nitro 5-fluoro-2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Namenitro 5-fluoro-2-hydroxy-3-methylbenzoate
PubChem CID175014292
Molecular FormulaC8H6FNO5
Molecular Weight215.14 g/mol
Exact Mass215.02
IUPAC Namenitro 5-fluoro-2-hydroxy-3-methylbenzoate
SMILESCc1cc(F)cc(C(=O)O[N+](=O)[O-])c1O
InChIInChI=1S/C8H6FNO5/c1-4-2-5(9)3-6(7(4)11)8(12)15-10(13)14/h2-3,11H,1H3
InChIKeyKTZRCAIIIHBSTM-UHFFFAOYSA-N
XLogP1.19
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 nitro 5-fluoro-2-hydroxy-3-methylbenzoate?
The IUPAC name of nitro 5-fluoro-2-hydroxy-3-methylbenzoate (CID 175014292) is nitro 5-fluoro-2-hydroxy-3-methylbenzoate.
What is the SMILES notation for nitro 5-fluoro-2-hydroxy-3-methylbenzoate?
The canonical SMILES for nitro 5-fluoro-2-hydroxy-3-methylbenzoate is Cc1cc(F)cc(C(=O)O[N+](=O)[O-])c1O.
What is the InChIKey of nitro 5-fluoro-2-hydroxy-3-methylbenzoate?
The InChIKey is KTZRCAIIIHBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO5/c1-4-2-5(9)3-6(7(4)11)8(12)15-10(13)14/h2-3,11H,1H3.
What are the key properties of nitro 5-fluoro-2-hydroxy-3-methylbenzoate?
nitro 5-fluoro-2-hydroxy-3-methylbenzoate has a molecular weight of 215.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitro 5-fluoro-2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 175014292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).