5-(3-fluorophenoxy)-2-nitrobenzoic acid

C13H8FNO5 — CID 16795814

IUPAC5-(3-fluorophenoxy)-2-nitrobenzoic acid
SMILESO=C(O)c1cc(Oc2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO5/c14-8-2-1-3-9(6-8)20-10-4-5-12(15(18)19)11(7-10)13(16)17/h1-7H,(H,16,17)
InChIKeyANWKBJUVBQAPRT-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.22
Rot. Bonds4

About 5-(3-fluorophenoxy)-2-nitrobenzoic acid

5-(3-fluorophenoxy)-2-nitrobenzoic acid (PubChem CID 16795814) has the molecular formula C13H8FNO5 and a molecular weight of 277.21 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-2-nitrobenzoic acid.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-2-nitrobenzoic acid
PubChem CID16795814
Molecular FormulaC13H8FNO5
Molecular Weight277.21 g/mol
Exact Mass277.04
IUPAC Name5-(3-fluorophenoxy)-2-nitrobenzoic acid
SMILESO=C(O)c1cc(Oc2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO5/c14-8-2-1-3-9(6-8)20-10-4-5-12(15(18)19)11(7-10)13(16)17/h1-7H,(H,16,17)
InChIKeyANWKBJUVBQAPRT-UHFFFAOYSA-N
XLogP3.22
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(3-iodophenoxy)-2-nitrobenzoic acid
CID 43216913
5-(4-bromo-3-fluorophenoxy)-2-nitrobenzoic acid
CID 65203349
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916
5-(4-chloro-3-fluorophenoxy)-2-nitrobenzoic acid
CID 82717911
[4-(3-fluorophenoxy)-2-nitrophenyl]boronic acid
CID 67451844
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
3-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 63941299
CID 91046691
CID 91046691
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
2-fluoro-4-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629670
5-[(3-chloro-4-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077869
5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid chloride
CID 86739293

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-2-nitrobenzoic acid?
The IUPAC name of 5-(3-fluorophenoxy)-2-nitrobenzoic acid (CID 16795814) is 5-(3-fluorophenoxy)-2-nitrobenzoic acid.
What is the SMILES notation for 5-(3-fluorophenoxy)-2-nitrobenzoic acid?
The canonical SMILES for 5-(3-fluorophenoxy)-2-nitrobenzoic acid is O=C(O)c1cc(Oc2cccc(F)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-(3-fluorophenoxy)-2-nitrobenzoic acid?
The InChIKey is ANWKBJUVBQAPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO5/c14-8-2-1-3-9(6-8)20-10-4-5-12(15(18)19)11(7-10)13(16)17/h1-7H,(H,16,17).
What are the key properties of 5-(3-fluorophenoxy)-2-nitrobenzoic acid?
5-(3-fluorophenoxy)-2-nitrobenzoic acid has a molecular weight of 277.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-2-nitrobenzoic acid is sourced from PubChem (CID 16795814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).