2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid

C12H7F2NO3 — CID 107677466

IUPAC2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cn2)cc1F
InChIInChI=1S/C12H7F2NO3/c13-7-1-4-11(15-6-7)18-8-2-3-9(12(16)17)10(14)5-8/h1-6H,(H,16,17)
InChIKeyACSBJYSBCXDXLY-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.85
Rot. Bonds3

About 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid

2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid (PubChem CID 107677466) has the molecular formula C12H7F2NO3 and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
PubChem CID107677466
Molecular FormulaC12H7F2NO3
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cn2)cc1F
InChIInChI=1S/C12H7F2NO3/c13-7-1-4-11(15-6-7)18-8-2-3-9(12(16)17)10(14)5-8/h1-6H,(H,16,17)
InChIKeyACSBJYSBCXDXLY-UHFFFAOYSA-N
XLogP2.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-tert-butyl-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 107875380
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
2-fluoro-4-quinoxalin-2-yloxybenzoic acid
CID 107677384
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 107677373
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid
CID 172564528
6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 115928135
4-(5-chloropyrimidin-4-yl)oxy-2-fluorobenzoic acid
CID 107677397
2-fluoro-4-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629670
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid (CID 107677466) is 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1ccc(Oc2ccc(F)cn2)cc1F.
What is the InChIKey of 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is ACSBJYSBCXDXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO3/c13-7-1-4-11(15-6-7)18-8-2-3-9(12(16)17)10(14)5-8/h1-6H,(H,16,17).
What are the key properties of 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid?
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 251.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 107677466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).