3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid

C14H10N2O4 — CID 103566591

IUPAC3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
SMILESCOc1cc(C#N)cc(Oc2cnccc2C(=O)O)c1
InChIInChI=1S/C14H10N2O4/c1-19-10-4-9(7-15)5-11(6-10)20-13-8-16-3-2-12(13)14(17)18/h2-6,8H,1H3,(H,17,18)
InChIKeyPHUYSIJITUNBGA-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.45
Rot. Bonds4

About 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid

3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid (PubChem CID 103566591) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
PubChem CID103566591
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
SMILESCOc1cc(C#N)cc(Oc2cnccc2C(=O)O)c1
InChIInChI=1S/C14H10N2O4/c1-19-10-4-9(7-15)5-11(6-10)20-13-8-16-3-2-12(13)14(17)18/h2-6,8H,1H3,(H,17,18)
InChIKeyPHUYSIJITUNBGA-UHFFFAOYSA-N
XLogP2.45
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid
CID 114017513
5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
CID 103566598
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442879
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid
CID 103566607
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
CID 81443465

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid (CID 103566591) is 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid is COc1cc(C#N)cc(Oc2cnccc2C(=O)O)c1.
What is the InChIKey of 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid?
The InChIKey is PHUYSIJITUNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-19-10-4-9(7-15)5-11(6-10)20-13-8-16-3-2-12(13)14(17)18/h2-6,8H,1H3,(H,17,18).
What are the key properties of 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid?
3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 103566591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).