3-fluoro-5-nitrosobenzoic acid

C7H4FNO3 — CID 126689712

IUPAC3-fluoro-5-nitrosobenzoic acid
SMILESO=Nc1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C7H4FNO3/c8-5-1-4(7(10)11)2-6(3-5)9-12/h1-3H,(H,10,11)
InChIKeyOMZTUUZAOPLJHU-UHFFFAOYSA-N
MW169.11 g/mol
LogP1.92
Rot. Bonds2

About 3-fluoro-5-nitrosobenzoic acid

3-fluoro-5-nitrosobenzoic acid (PubChem CID 126689712) has the molecular formula C7H4FNO3 and a molecular weight of 169.11 g/mol. Its IUPAC name is 3-fluoro-5-nitrosobenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-nitrosobenzoic acid
PubChem CID126689712
Molecular FormulaC7H4FNO3
Molecular Weight169.11 g/mol
Exact Mass169.02
IUPAC Name3-fluoro-5-nitrosobenzoic acid
SMILESO=Nc1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C7H4FNO3/c8-5-1-4(7(10)11)2-6(3-5)9-12/h1-3H,(H,10,11)
InChIKeyOMZTUUZAOPLJHU-UHFFFAOYSA-N
XLogP1.92
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.11
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitrosobenzoic acid?
The IUPAC name of 3-fluoro-5-nitrosobenzoic acid (CID 126689712) is 3-fluoro-5-nitrosobenzoic acid.
What is the SMILES notation for 3-fluoro-5-nitrosobenzoic acid?
The canonical SMILES for 3-fluoro-5-nitrosobenzoic acid is O=Nc1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-fluoro-5-nitrosobenzoic acid?
The InChIKey is OMZTUUZAOPLJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3/c8-5-1-4(7(10)11)2-6(3-5)9-12/h1-3H,(H,10,11).
What are the key properties of 3-fluoro-5-nitrosobenzoic acid?
3-fluoro-5-nitrosobenzoic acid has a molecular weight of 169.11 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitrosobenzoic acid is sourced from PubChem (CID 126689712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).