2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid

C13H7FN2O3 — CID 113281460

IUPAC2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
SMILESN#Cc1ccc(Oc2ccc(F)cc2C(=O)O)nc1
InChIInChI=1S/C13H7FN2O3/c14-9-2-3-11(10(5-9)13(17)18)19-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,17,18)
InChIKeyIKQLFQHHAQBXKB-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.58
Rot. Bonds3

About 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid

2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid (PubChem CID 113281460) has the molecular formula C13H7FN2O3 and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
PubChem CID113281460
Molecular FormulaC13H7FN2O3
Molecular Weight258.21 g/mol
Exact Mass258.04
IUPAC Name2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
SMILESN#Cc1ccc(Oc2ccc(F)cc2C(=O)O)nc1
InChIInChI=1S/C13H7FN2O3/c14-9-2-3-11(10(5-9)13(17)18)19-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,17,18)
InChIKeyIKQLFQHHAQBXKB-UHFFFAOYSA-N
XLogP2.58
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 107875372
2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
CID 82801775
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
6-(2-fluorophenoxy)pyridine-3-carbonitrile
CID 24698553
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile
CID 174272255
5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585791
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
CID 115298124
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid (CID 113281460) is 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid is N#Cc1ccc(Oc2ccc(F)cc2C(=O)O)nc1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid?
The InChIKey is IKQLFQHHAQBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O3/c14-9-2-3-11(10(5-9)13(17)18)19-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,17,18).
What are the key properties of 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid?
2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid has a molecular weight of 258.21 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid is sourced from PubChem (CID 113281460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).