3-amino-2,4-difluoro-6-hydroxybenzoic acid

C7H5F2NO3 — CID 84770911

IUPAC3-amino-2,4-difluoro-6-hydroxybenzoic acid
SMILESNc1c(F)cc(O)c(C(=O)O)c1F
InChIInChI=1S/C7H5F2NO3/c8-2-1-3(11)4(7(12)13)5(9)6(2)10/h1,11H,10H2,(H,12,13)
InChIKeyWSVISKRLRGVJJZ-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.95
Rot. Bonds1

About 3-amino-2,4-difluoro-6-hydroxybenzoic acid

3-amino-2,4-difluoro-6-hydroxybenzoic acid (PubChem CID 84770911) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-6-hydroxybenzoic acid.

Molecular Properties

Compound Name3-amino-2,4-difluoro-6-hydroxybenzoic acid
PubChem CID84770911
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name3-amino-2,4-difluoro-6-hydroxybenzoic acid
SMILESNc1c(F)cc(O)c(C(=O)O)c1F
InChIInChI=1S/C7H5F2NO3/c8-2-1-3(11)4(7(12)13)5(9)6(2)10/h1,11H,10H2,(H,12,13)
InChIKeyWSVISKRLRGVJJZ-UHFFFAOYSA-N
XLogP0.95
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
2-amino-3,4,5,6-tetrafluorobenzoic acid
CID 139081576
2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
CID 54312938
5-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653970
2-acetyl-4-amino-3,5,6-trifluorobenzoic acid
CID 139669187
2-amino-3-fluoro-5-phenylterephthalic acid
CID 175158436
6-amino-2,4-difluoro-3-methylsulfanylbenzoic acid
CID 104721925
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
2,3,5-trifluoro-6-hydroxybenzoic acid
CID 84820872
3-amino-2,5,6-trifluoro-4-methoxybenzoic acid
CID 174567363
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
3,4-diamino-5-hydroxyphthalic acid
CID 155288891

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-6-hydroxybenzoic acid?
The IUPAC name of 3-amino-2,4-difluoro-6-hydroxybenzoic acid (CID 84770911) is 3-amino-2,4-difluoro-6-hydroxybenzoic acid.
What is the SMILES notation for 3-amino-2,4-difluoro-6-hydroxybenzoic acid?
The canonical SMILES for 3-amino-2,4-difluoro-6-hydroxybenzoic acid is Nc1c(F)cc(O)c(C(=O)O)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-6-hydroxybenzoic acid?
The InChIKey is WSVISKRLRGVJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-2-1-3(11)4(7(12)13)5(9)6(2)10/h1,11H,10H2,(H,12,13).
What are the key properties of 3-amino-2,4-difluoro-6-hydroxybenzoic acid?
3-amino-2,4-difluoro-6-hydroxybenzoic acid has a molecular weight of 189.12 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-6-hydroxybenzoic acid is sourced from PubChem (CID 84770911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).