5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid

C9H7FO6 — CID 117331863

IUPAC5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C(O)C(=O)O)cc(F)c1O
InChIInChI=1S/C9H7FO6/c10-5-2-3(6(11)9(15)16)1-4(7(5)12)8(13)14/h1-2,6,11-12H,(H,13,14)(H,15,16)
InChIKeyOJAOEOPJECGIAL-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.35
Rot. Bonds3

About 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid

5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid (PubChem CID 117331863) has the molecular formula C9H7FO6 and a molecular weight of 230.15 g/mol. Its IUPAC name is 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid
PubChem CID117331863
Molecular FormulaC9H7FO6
Molecular Weight230.15 g/mol
Exact Mass230.02
IUPAC Name5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C(O)C(=O)O)cc(F)c1O
InChIInChI=1S/C9H7FO6/c10-5-2-3(6(11)9(15)16)1-4(7(5)12)8(13)14/h1-2,6,11-12H,(H,13,14)(H,15,16)
InChIKeyOJAOEOPJECGIAL-UHFFFAOYSA-N
XLogP0.35
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid (CID 117331863) is 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid is O=C(O)c1cc(C(O)C(=O)O)cc(F)c1O.
What is the InChIKey of 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid?
The InChIKey is OJAOEOPJECGIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO6/c10-5-2-3(6(11)9(15)16)1-4(7(5)12)8(13)14/h1-2,6,11-12H,(H,13,14)(H,15,16).
What are the key properties of 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid?
5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid has a molecular weight of 230.15 g/mol, XLogP of 0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 117331863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).