4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid

C19H15ClN2O3 — CID 171537463

IUPAC4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid
SMILESCCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(=O)O
InChIInChI=1S/C19H15ClN2O3/c1-2-12-7-13(3-4-17(12)19(23)24)18-9-15(5-6-22-18)25-16-8-14(20)10-21-11-16/h3-11H,2H2,1H3,(H,23,24)
InChIKeyVWOMBJCXOJXCIZ-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.85
Rot. Bonds5

About 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid

4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid (PubChem CID 171537463) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid.

Molecular Properties

Compound Name4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid
PubChem CID171537463
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid
SMILESCCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(=O)O
InChIInChI=1S/C19H15ClN2O3/c1-2-12-7-13(3-4-17(12)19(23)24)18-9-15(5-6-22-18)25-16-8-14(20)10-21-11-16/h3-11H,2H2,1H3,(H,23,24)
InChIKeyVWOMBJCXOJXCIZ-UHFFFAOYSA-N
XLogP4.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid?
The IUPAC name of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid (CID 171537463) is 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid.
What is the SMILES notation for 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid?
The canonical SMILES for 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid is CCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(=O)O.
What is the InChIKey of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid?
The InChIKey is VWOMBJCXOJXCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-2-12-7-13(3-4-17(12)19(23)24)18-9-15(5-6-22-18)25-16-8-14(20)10-21-11-16/h3-11H,2H2,1H3,(H,23,24).
What are the key properties of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid?
4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid has a molecular weight of 354.79 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzoic acid is sourced from PubChem (CID 171537463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).