5-fluoro-4-formyl-2-hydroxybenzoic acid

C8H5FO4 — CID 170993880

IUPAC5-fluoro-4-formyl-2-hydroxybenzoic acid
SMILESO=Cc1cc(O)c(C(=O)O)cc1F
InChIInChI=1S/C8H5FO4/c9-6-2-5(8(12)13)7(11)1-4(6)3-10/h1-3,11H,(H,12,13)
InChIKeyJIVPZYLUNJYMDS-UHFFFAOYSA-N
MW184.12 g/mol
LogP1.04
Rot. Bonds2

About 5-fluoro-4-formyl-2-hydroxybenzoic acid

5-fluoro-4-formyl-2-hydroxybenzoic acid (PubChem CID 170993880) has the molecular formula C8H5FO4 and a molecular weight of 184.12 g/mol. Its IUPAC name is 5-fluoro-4-formyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-4-formyl-2-hydroxybenzoic acid
PubChem CID170993880
Molecular FormulaC8H5FO4
Molecular Weight184.12 g/mol
Exact Mass184.02
IUPAC Name5-fluoro-4-formyl-2-hydroxybenzoic acid
SMILESO=Cc1cc(O)c(C(=O)O)cc1F
InChIInChI=1S/C8H5FO4/c9-6-2-5(8(12)13)7(11)1-4(6)3-10/h1-3,11H,(H,12,13)
InChIKeyJIVPZYLUNJYMDS-UHFFFAOYSA-N
XLogP1.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-5-formylbenzoic acid
CID 53405251
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
4-formyl-2-hydroxy-5-methylbenzoic acid
CID 170993830
5-fluoro-4-formyl-2-(trifluoromethyl)benzoic acid
CID 164892479
2-(difluoromethoxy)-5-fluoro-4-formylbenzoic acid
CID 171026124
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
2-fluoro-5-formyl-4-methylbenzoic acid
CID 115016078
2,3-difluoro-4,5-dihydroxybenzaldehyde
CID 45120078
CID 172784976
CID 172784976
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-formyl-2-hydroxybenzoic acid?
The IUPAC name of 5-fluoro-4-formyl-2-hydroxybenzoic acid (CID 170993880) is 5-fluoro-4-formyl-2-hydroxybenzoic acid.
What is the SMILES notation for 5-fluoro-4-formyl-2-hydroxybenzoic acid?
The canonical SMILES for 5-fluoro-4-formyl-2-hydroxybenzoic acid is O=Cc1cc(O)c(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-4-formyl-2-hydroxybenzoic acid?
The InChIKey is JIVPZYLUNJYMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO4/c9-6-2-5(8(12)13)7(11)1-4(6)3-10/h1-3,11H,(H,12,13).
What are the key properties of 5-fluoro-4-formyl-2-hydroxybenzoic acid?
5-fluoro-4-formyl-2-hydroxybenzoic acid has a molecular weight of 184.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-formyl-2-hydroxybenzoic acid is sourced from PubChem (CID 170993880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).