3-amino-2-fluoro-4-hydroxybenzoic acid

C7H6FNO3 — CID 84653967

IUPAC3-amino-2-fluoro-4-hydroxybenzoic acid
SMILESNc1c(O)ccc(C(=O)O)c1F
InChIInChI=1S/C7H6FNO3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2,10H,9H2,(H,11,12)
InChIKeyXXDOLHPIOFDCPB-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.81
Rot. Bonds1

About 3-amino-2-fluoro-4-hydroxybenzoic acid

3-amino-2-fluoro-4-hydroxybenzoic acid (PubChem CID 84653967) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 3-amino-2-fluoro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-amino-2-fluoro-4-hydroxybenzoic acid
PubChem CID84653967
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name3-amino-2-fluoro-4-hydroxybenzoic acid
SMILESNc1c(O)ccc(C(=O)O)c1F
InChIInChI=1S/C7H6FNO3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2,10H,9H2,(H,11,12)
InChIKeyXXDOLHPIOFDCPB-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

3-amino-2-fluoro-4-iodobenzoic acid
CID 131563992
3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 11735652
3-amino-2-bromo-4-hydroxybenzoic acid
CID 84695246
2-amino-4-chloro-3-fluorobenzoic acid
CID 28974171
3-amino-2-fluoro-5-hydroxy-4-methoxybenzoic acid
CID 84669828
2,3-diamino-4-hydroxybenzamide
CID 70024037
2-amino-4-bromo-3-fluorobenzoic acid;ethane
CID 170732130
5-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653970
2-amino-4-fluorobenzene-1,3-dicarboxylic acid
CID 121254589
4,5,8-trihydroxynaphthalene-1-carboxylic acid
CID 139775362
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
3-carbamoyl-2,4-difluorobenzoic acid
CID 151336938

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoro-4-hydroxybenzoic acid?
The IUPAC name of 3-amino-2-fluoro-4-hydroxybenzoic acid (CID 84653967) is 3-amino-2-fluoro-4-hydroxybenzoic acid.
What is the SMILES notation for 3-amino-2-fluoro-4-hydroxybenzoic acid?
The canonical SMILES for 3-amino-2-fluoro-4-hydroxybenzoic acid is Nc1c(O)ccc(C(=O)O)c1F.
What is the InChIKey of 3-amino-2-fluoro-4-hydroxybenzoic acid?
The InChIKey is XXDOLHPIOFDCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2,10H,9H2,(H,11,12).
What are the key properties of 3-amino-2-fluoro-4-hydroxybenzoic acid?
3-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 3-amino-2-fluoro-4-hydroxybenzoic acid is sourced from PubChem (CID 84653967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).