5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid

C12H7ClFNO3 — CID 62733253

IUPAC5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ncccc1F
InChIInChI=1S/C12H7ClFNO3/c13-7-3-4-10(8(6-7)12(16)17)18-11-9(14)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyYPWWBHYNAAQFPC-UHFFFAOYSA-N
MW267.64 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid

5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid (PubChem CID 62733253) has the molecular formula C12H7ClFNO3 and a molecular weight of 267.64 g/mol. Its IUPAC name is 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
PubChem CID62733253
Molecular FormulaC12H7ClFNO3
Molecular Weight267.64 g/mol
Exact Mass267.01
IUPAC Name5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ncccc1F
InChIInChI=1S/C12H7ClFNO3/c13-7-3-4-10(8(6-7)12(16)17)18-11-9(14)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyYPWWBHYNAAQFPC-UHFFFAOYSA-N
XLogP3.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid (CID 62733253) is 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1cc(Cl)ccc1Oc1ncccc1F.
What is the InChIKey of 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is YPWWBHYNAAQFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3/c13-7-3-4-10(8(6-7)12(16)17)18-11-9(14)2-1-5-15-11/h1-6H,(H,16,17).
What are the key properties of 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid?
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 267.64 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 62733253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).