2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid

C14H12ClNO3 — CID 113379603

IUPAC2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClNO3/c1-2-11-7-9(14(17)18)8-13(16-11)19-12-5-3-10(15)4-6-12/h3-8H,2H2,1H3,(H,17,18)
InChIKeySIEYRIXNCUOAON-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid

2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid (PubChem CID 113379603) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
PubChem CID113379603
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClNO3/c1-2-11-7-9(14(17)18)8-13(16-11)19-12-5-3-10(15)4-6-12/h3-8H,2H2,1H3,(H,17,18)
InChIKeySIEYRIXNCUOAON-UHFFFAOYSA-N
XLogP3.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
CID 113379615
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid
CID 116792579
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
CID 113378263
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-ethyl-6-phenoxypyridine
CID 19828151

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid (CID 113379603) is 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid?
The InChIKey is SIEYRIXNCUOAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-2-11-7-9(14(17)18)8-13(16-11)19-12-5-3-10(15)4-6-12/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid?
2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 113379603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).