2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid

C13H6F2N2O3 — CID 105380007

IUPAC2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
SMILESN#Cc1c(F)cccc1Oc1nccc(C(=O)O)c1F
InChIInChI=1S/C13H6F2N2O3/c14-9-2-1-3-10(8(9)6-16)20-12-11(15)7(13(18)19)4-5-17-12/h1-5H,(H,18,19)
InChIKeyDCTQZOAREVLELJ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.72
Rot. Bonds3

About 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid

2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105380007) has the molecular formula C13H6F2N2O3 and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
PubChem CID105380007
Molecular FormulaC13H6F2N2O3
Molecular Weight276.20 g/mol
Exact Mass276.03
IUPAC Name2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
SMILESN#Cc1c(F)cccc1Oc1nccc(C(=O)O)c1F
InChIInChI=1S/C13H6F2N2O3/c14-9-2-1-3-10(8(9)6-16)20-12-11(15)7(13(18)19)4-5-17-12/h1-5H,(H,18,19)
InChIKeyDCTQZOAREVLELJ-UHFFFAOYSA-N
XLogP2.72
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid
CID 104638416
3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380025
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
3-amino-2-(2-fluoro-3-methylphenoxy)pyridine-4-carboxylic acid
CID 107659996
2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 43609549
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
3-chloro-4-(2-cyano-3-fluorophenoxy)benzoic acid
CID 79522906
methyl 2-(2-cyano-3-fluorophenoxy)-4-fluorobenzoate
CID 67227369
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid (CID 105380007) is 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid is N#Cc1c(F)cccc1Oc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is DCTQZOAREVLELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F2N2O3/c14-9-2-1-3-10(8(9)6-16)20-12-11(15)7(13(18)19)4-5-17-12/h1-5H,(H,18,19).
What are the key properties of 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid?
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 276.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105380007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).