5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid

C13H7FN2O3 — CID 104638416

IUPAC5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid
SMILESN#Cc1c(F)cccc1Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H7FN2O3/c14-10-2-1-3-12(9(10)6-15)19-8-4-5-11(13(17)18)16-7-8/h1-5,7H,(H,17,18)
InChIKeyVZVCUHXSNMCDDR-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.58
Rot. Bonds3

About 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid

5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid (PubChem CID 104638416) has the molecular formula C13H7FN2O3 and a molecular weight of 258.21 g/mol. Its IUPAC name is 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid
PubChem CID104638416
Molecular FormulaC13H7FN2O3
Molecular Weight258.21 g/mol
Exact Mass258.04
IUPAC Name5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid
SMILESN#Cc1c(F)cccc1Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H7FN2O3/c14-10-2-1-3-12(9(10)6-15)19-8-4-5-11(13(17)18)16-7-8/h1-5,7H,(H,17,18)
InChIKeyVZVCUHXSNMCDDR-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-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
CID 105380007
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
CID 63867087

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid (CID 104638416) is 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid is N#Cc1c(F)cccc1Oc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid?
The InChIKey is VZVCUHXSNMCDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O3/c14-10-2-1-3-12(9(10)6-15)19-8-4-5-11(13(17)18)16-7-8/h1-5,7H,(H,17,18).
What are the key properties of 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid?
5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic 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 5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 104638416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).