5-amino-2-fluoro-4-hydroxybenzoic acid

C7H6FNO3 — CID 84653970

IUPAC5-amino-2-fluoro-4-hydroxybenzoic acid
SMILESNc1cc(C(=O)O)c(F)cc1O
InChIInChI=1S/C7H6FNO3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,9H2,(H,11,12)
InChIKeyXPYBCCYMGRHOBE-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.81
Rot. Bonds1

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

5-amino-2-fluoro-4-hydroxybenzoic acid (PubChem CID 84653970) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 5-amino-2-fluoro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-fluoro-4-hydroxybenzoic acid
PubChem CID84653970
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name5-amino-2-fluoro-4-hydroxybenzoic acid
SMILESNc1cc(C(=O)O)c(F)cc1O
InChIInChI=1S/C7H6FNO3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,9H2,(H,11,12)
InChIKeyXPYBCCYMGRHOBE-UHFFFAOYSA-N
XLogP0.81
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2-fluoro-5-formamido-4-hydroxybenzoic acid
CID 168651491
5-[(1S)-1-amino-2-hydroxyethyl]-2-fluoro-4-hydroxybenzoic acid
CID 66514552
5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 84673726
2-amino-4-fluoro-5-sulfanylbenzoic acid
CID 70115569
3-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653967
5-amino-2-cyano-4-fluorobenzoic acid
CID 21266837
2-amino-4,5-diiodobenzoic acid
CID 20534143
5-amino-2-fluoro-4-pyridin-4-ylsulfanylbenzoic acid
CID 113394307
5-amino-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-5-nitrobenzoic acid
CID 159447997
2,4-difluoro-5-methoxybenzoic acid
CID 117280967

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-4-hydroxybenzoic acid?
The IUPAC name of 5-amino-2-fluoro-4-hydroxybenzoic acid (CID 84653970) is 5-amino-2-fluoro-4-hydroxybenzoic acid.
What is the SMILES notation for 5-amino-2-fluoro-4-hydroxybenzoic acid?
The canonical SMILES for 5-amino-2-fluoro-4-hydroxybenzoic acid is Nc1cc(C(=O)O)c(F)cc1O.
What is the InChIKey of 5-amino-2-fluoro-4-hydroxybenzoic acid?
The InChIKey is XPYBCCYMGRHOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,9H2,(H,11,12).
What are the key properties of 5-amino-2-fluoro-4-hydroxybenzoic acid?
5-amino-2-fluoro-4-hydroxybenzoic acid has a molecular weight of 171.13 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-4-hydroxybenzoic acid is sourced from PubChem (CID 84653970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).