2-fluoro-5-formamido-4-hydroxybenzoic acid

C8H6FNO4 — CID 168651491

IUPAC2-fluoro-5-formamido-4-hydroxybenzoic acid
SMILESO=CNc1cc(C(=O)O)c(F)cc1O
InChIInChI=1S/C8H6FNO4/c9-5-2-7(12)6(10-3-11)1-4(5)8(13)14/h1-3,12H,(H,10,11)(H,13,14)
InChIKeyNRLOXIWGPQTYQA-UHFFFAOYSA-N
MW199.14 g/mol
LogP0.80
Rot. Bonds3

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

2-fluoro-5-formamido-4-hydroxybenzoic acid (PubChem CID 168651491) has the molecular formula C8H6FNO4 and a molecular weight of 199.14 g/mol. Its IUPAC name is 2-fluoro-5-formamido-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-formamido-4-hydroxybenzoic acid
PubChem CID168651491
Molecular FormulaC8H6FNO4
Molecular Weight199.14 g/mol
Exact Mass199.03
IUPAC Name2-fluoro-5-formamido-4-hydroxybenzoic acid
SMILESO=CNc1cc(C(=O)O)c(F)cc1O
InChIInChI=1S/C8H6FNO4/c9-5-2-7(12)6(10-3-11)1-4(5)8(13)14/h1-3,12H,(H,10,11)(H,13,14)
InChIKeyNRLOXIWGPQTYQA-UHFFFAOYSA-N
XLogP0.80
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-formamido-4-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653970
4-formamido-3-hydroxybenzoic acid
CID 56997255
2,4,5-trifluoro-3-formamidobenzoic acid
CID 168651424
4-chloro-2-formamidobenzoic acid
CID 61146469
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2,4-difluoro-5-formylbenzoic acid
CID 53405251
5-(ethylamino)-2,4-difluorobenzoic acid
CID 43737186
2-anilino-5-fluoroterephthalic acid
CID 16748393
5-[(2,2-difluoroacetyl)amino]-2,4-difluorobenzoic acid
CID 103513190
5-fluoro-4-formyl-2-hydroxybenzoic acid
CID 170993880
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-formamido-4-hydroxybenzoic acid?
The IUPAC name of 2-fluoro-5-formamido-4-hydroxybenzoic acid (CID 168651491) is 2-fluoro-5-formamido-4-hydroxybenzoic acid.
What is the SMILES notation for 2-fluoro-5-formamido-4-hydroxybenzoic acid?
The canonical SMILES for 2-fluoro-5-formamido-4-hydroxybenzoic acid is O=CNc1cc(C(=O)O)c(F)cc1O.
What is the InChIKey of 2-fluoro-5-formamido-4-hydroxybenzoic acid?
The InChIKey is NRLOXIWGPQTYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO4/c9-5-2-7(12)6(10-3-11)1-4(5)8(13)14/h1-3,12H,(H,10,11)(H,13,14).
What are the key properties of 2-fluoro-5-formamido-4-hydroxybenzoic acid?
2-fluoro-5-formamido-4-hydroxybenzoic acid has a molecular weight of 199.14 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-formamido-4-hydroxybenzoic acid is sourced from PubChem (CID 168651491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).