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

C7H5ClFNO3 — CID 84673726

IUPAC5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid
SMILESNc1cc(C(=O)O)c(F)c(Cl)c1O
InChIInChI=1S/C7H5ClFNO3/c8-4-5(9)2(7(12)13)1-3(10)6(4)11/h1,11H,10H2,(H,12,13)
InChIKeyAFMIYMOQAUZOAY-UHFFFAOYSA-N
MW205.57 g/mol
LogP1.47
Rot. Bonds1

About 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid

5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid (PubChem CID 84673726) has the molecular formula C7H5ClFNO3 and a molecular weight of 205.57 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid
PubChem CID84673726
Molecular FormulaC7H5ClFNO3
Molecular Weight205.57 g/mol
Exact Mass204.99
IUPAC Name5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid
SMILESNc1cc(C(=O)O)c(F)c(Cl)c1O
InChIInChI=1S/C7H5ClFNO3/c8-4-5(9)2(7(12)13)1-3(10)6(4)11/h1,11H,10H2,(H,12,13)
InChIKeyAFMIYMOQAUZOAY-UHFFFAOYSA-N
XLogP1.47
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.57
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid?
The IUPAC name of 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid (CID 84673726) is 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid is Nc1cc(C(=O)O)c(F)c(Cl)c1O.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid?
The InChIKey is AFMIYMOQAUZOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO3/c8-4-5(9)2(7(12)13)1-3(10)6(4)11/h1,11H,10H2,(H,12,13).
What are the key properties of 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid?
5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid has a molecular weight of 205.57 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid is sourced from PubChem (CID 84673726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).