2-fluoro-6-pyridin-2-yloxybenzoic acid

C12H8FNO3 — CID 104629750

IUPAC2-fluoro-6-pyridin-2-yloxybenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ccccn1
InChIInChI=1S/C12H8FNO3/c13-8-4-3-5-9(11(8)12(15)16)17-10-6-1-2-7-14-10/h1-7H,(H,15,16)
InChIKeyIXWVNHZPQAAGHC-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.71
Rot. Bonds3

About 2-fluoro-6-pyridin-2-yloxybenzoic acid

2-fluoro-6-pyridin-2-yloxybenzoic acid (PubChem CID 104629750) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-fluoro-6-pyridin-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-6-pyridin-2-yloxybenzoic acid
PubChem CID104629750
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name2-fluoro-6-pyridin-2-yloxybenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ccccn1
InChIInChI=1S/C12H8FNO3/c13-8-4-3-5-9(11(8)12(15)16)17-10-6-1-2-7-14-10/h1-7H,(H,15,16)
InChIKeyIXWVNHZPQAAGHC-UHFFFAOYSA-N
XLogP2.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016406
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016399
2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 43609549
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
CID 107016422
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid
CID 70557926
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-pyridin-2-yloxybenzoic acid?
The IUPAC name of 2-fluoro-6-pyridin-2-yloxybenzoic acid (CID 104629750) is 2-fluoro-6-pyridin-2-yloxybenzoic acid.
What is the SMILES notation for 2-fluoro-6-pyridin-2-yloxybenzoic acid?
The canonical SMILES for 2-fluoro-6-pyridin-2-yloxybenzoic acid is O=C(O)c1c(F)cccc1Oc1ccccn1.
What is the InChIKey of 2-fluoro-6-pyridin-2-yloxybenzoic acid?
The InChIKey is IXWVNHZPQAAGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-8-4-3-5-9(11(8)12(15)16)17-10-6-1-2-7-14-10/h1-7H,(H,15,16).
What are the key properties of 2-fluoro-6-pyridin-2-yloxybenzoic acid?
2-fluoro-6-pyridin-2-yloxybenzoic acid has a molecular weight of 233.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyridin-2-yloxybenzoic acid is sourced from PubChem (CID 104629750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).