3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid

C14H10N2O3 — CID 114017513

IUPAC3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid
SMILESCc1ccc(Oc2cnccc2C(=O)O)c(C#N)c1
InChIInChI=1S/C14H10N2O3/c1-9-2-3-12(10(6-9)7-15)19-13-8-16-5-4-11(13)14(17)18/h2-6,8H,1H3,(H,17,18)
InChIKeyZIGMPURYAXLPDJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.75
Rot. Bonds3

About 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid

3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid (PubChem CID 114017513) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid
PubChem CID114017513
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid
SMILESCc1ccc(Oc2cnccc2C(=O)O)c(C#N)c1
InChIInChI=1S/C14H10N2O3/c1-9-2-3-12(10(6-9)7-15)19-13-8-16-5-4-11(13)14(17)18/h2-6,8H,1H3,(H,17,18)
InChIKeyZIGMPURYAXLPDJ-UHFFFAOYSA-N
XLogP2.75
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442879
3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
CID 103566591
4-(2-cyano-4-methylphenoxy)-3-methylbenzoic acid
CID 107931920
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
2-cyano-5-methylbenzoic acid
CID 66570727
4-bromo-2-(2-cyano-5-methylphenoxy)benzoic acid
CID 62308543
2-(2-cyano-5-methoxyphenoxy)-4-methylbenzoic acid
CID 81301510
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 107928229
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
4-bromo-2-(4-bromo-2-cyanophenoxy)benzoic acid
CID 114895237

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid (CID 114017513) is 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid is Cc1ccc(Oc2cnccc2C(=O)O)c(C#N)c1.
What is the InChIKey of 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is ZIGMPURYAXLPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-9-2-3-12(10(6-9)7-15)19-13-8-16-5-4-11(13)14(17)18/h2-6,8H,1H3,(H,17,18).
What are the key properties of 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid?
3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114017513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).