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

C7H4ClFO3 — CID 131954804

IUPAC2-chloro-5-fluoro-3-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)cc(O)c1Cl
InChIInChI=1S/C7H4ClFO3/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,10H,(H,11,12)
InChIKeyNWKXMXNSEVLWBU-UHFFFAOYSA-N
MW190.56 g/mol
LogP1.88
Rot. Bonds1

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

2-chloro-5-fluoro-3-hydroxybenzoic acid (PubChem CID 131954804) has the molecular formula C7H4ClFO3 and a molecular weight of 190.56 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-hydroxybenzoic acid
PubChem CID131954804
Molecular FormulaC7H4ClFO3
Molecular Weight190.56 g/mol
Exact Mass189.98
IUPAC Name2-chloro-5-fluoro-3-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)cc(O)c1Cl
InChIInChI=1S/C7H4ClFO3/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,10H,(H,11,12)
InChIKeyNWKXMXNSEVLWBU-UHFFFAOYSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-hydroxybenzoic acid?
The IUPAC name of 2-chloro-5-fluoro-3-hydroxybenzoic acid (CID 131954804) is 2-chloro-5-fluoro-3-hydroxybenzoic acid.
What is the SMILES notation for 2-chloro-5-fluoro-3-hydroxybenzoic acid?
The canonical SMILES for 2-chloro-5-fluoro-3-hydroxybenzoic acid is O=C(O)c1cc(F)cc(O)c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-3-hydroxybenzoic acid?
The InChIKey is NWKXMXNSEVLWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO3/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,10H,(H,11,12).
What are the key properties of 2-chloro-5-fluoro-3-hydroxybenzoic acid?
2-chloro-5-fluoro-3-hydroxybenzoic acid has a molecular weight of 190.56 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-hydroxybenzoic acid is sourced from PubChem (CID 131954804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).