5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid

C13H6ClFN2O3 — CID 107670303

IUPAC5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
SMILESN#Cc1ccc(Oc2cc(C(=O)O)c(Cl)cn2)c(F)c1
InChIInChI=1S/C13H6ClFN2O3/c14-9-6-17-12(4-8(9)13(18)19)20-11-2-1-7(5-16)3-10(11)15/h1-4,6H,(H,18,19)
InChIKeyIBSIRVMBIMLKHQ-UHFFFAOYSA-N
MW292.65 g/mol
LogP3.24
Rot. Bonds3

About 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid

5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid (PubChem CID 107670303) has the molecular formula C13H6ClFN2O3 and a molecular weight of 292.65 g/mol. Its IUPAC name is 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
PubChem CID107670303
Molecular FormulaC13H6ClFN2O3
Molecular Weight292.65 g/mol
Exact Mass292.01
IUPAC Name5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
SMILESN#Cc1ccc(Oc2cc(C(=O)O)c(Cl)cn2)c(F)c1
InChIInChI=1S/C13H6ClFN2O3/c14-9-6-17-12(4-8(9)13(18)19)20-11-2-1-7(5-16)3-10(11)15/h1-4,6H,(H,18,19)
InChIKeyIBSIRVMBIMLKHQ-UHFFFAOYSA-N
XLogP3.24
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759
5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 113281460
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
2-amino-4-(4-cyano-2-fluorophenoxy)benzoic acid
CID 107667496
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid (CID 107670303) is 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid is N#Cc1ccc(Oc2cc(C(=O)O)c(Cl)cn2)c(F)c1.
What is the InChIKey of 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is IBSIRVMBIMLKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClFN2O3/c14-9-6-17-12(4-8(9)13(18)19)20-11-2-1-7(5-16)3-10(11)15/h1-4,6H,(H,18,19).
What are the key properties of 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid?
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid has a molecular weight of 292.65 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 107670303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).