5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid

C14H12ClNO4 — CID 63591158

IUPAC5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
SMILESCCOc1cccc(Oc2ccc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C14H12ClNO4/c1-2-19-12-4-3-5-13(16-12)20-11-7-6-9(15)8-10(11)14(17)18/h3-8H,2H2,1H3,(H,17,18)
InChIKeyITBBCCPUWQIMDY-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.62
Rot. Bonds5

About 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid

5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid (PubChem CID 63591158) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
PubChem CID63591158
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
SMILESCCOc1cccc(Oc2ccc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C14H12ClNO4/c1-2-19-12-4-3-5-13(16-12)20-11-7-6-9(15)8-10(11)14(17)18/h3-8H,2H2,1H3,(H,17,18)
InChIKeyITBBCCPUWQIMDY-UHFFFAOYSA-N
XLogP3.62
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63589176
5-chloro-2-(3-ethoxybenzoyl)oxybenzoic acid
CID 54855059
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 63460702
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
CID 66858904
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate
CID 69318370
5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 66330074
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid (CID 63591158) is 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid is CCOc1cccc(Oc2ccc(Cl)cc2C(=O)O)n1.
What is the InChIKey of 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid?
The InChIKey is ITBBCCPUWQIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-2-19-12-4-3-5-13(16-12)20-11-7-6-9(15)8-10(11)14(17)18/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid?
5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid has a molecular weight of 293.71 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 63591158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).