5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid

C9H10FNO4 — CID 117306166

IUPAC5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid
SMILESNCC(O)c1cc(F)c(O)c(C(=O)O)c1
InChIInChI=1S/C9H10FNO4/c10-6-2-4(7(12)3-11)1-5(8(6)13)9(14)15/h1-2,7,12-13H,3,11H2,(H,14,15)
InChIKeyNQFZLNZPCICFDH-UHFFFAOYSA-N
MW215.18 g/mol
LogP0.22
Rot. Bonds3

About 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid

5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid (PubChem CID 117306166) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid
PubChem CID117306166
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid
SMILESNCC(O)c1cc(F)c(O)c(C(=O)O)c1
InChIInChI=1S/C9H10FNO4/c10-6-2-4(7(12)3-11)1-5(8(6)13)9(14)15/h1-2,7,12-13H,3,11H2,(H,14,15)
InChIKeyNQFZLNZPCICFDH-UHFFFAOYSA-N
XLogP0.22
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid (CID 117306166) is 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid is NCC(O)c1cc(F)c(O)c(C(=O)O)c1.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid?
The InChIKey is NQFZLNZPCICFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c10-6-2-4(7(12)3-11)1-5(8(6)13)9(14)15/h1-2,7,12-13H,3,11H2,(H,14,15).
What are the key properties of 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid?
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid has a molecular weight of 215.18 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 117306166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).