2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid

C19H13Cl2NO4 — CID 23648118

IUPAC2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccnc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO4/c20-15-6-11(8-18(24)25)7-16(21)19(15)26-13-3-4-17(23)14(9-13)12-2-1-5-22-10-12/h1-7,9-10,23H,8H2,(H,24,25)
InChIKeyBQVSQVFXKGWCRD-UHFFFAOYSA-N
MW390.22 g/mol
LogP5.18
Rot. Bonds5

About 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid

2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid (PubChem CID 23648118) has the molecular formula C19H13Cl2NO4 and a molecular weight of 390.22 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid
PubChem CID23648118
Molecular FormulaC19H13Cl2NO4
Molecular Weight390.22 g/mol
Exact Mass389.02
IUPAC Name2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccnc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO4/c20-15-6-11(8-18(24)25)7-16(21)19(15)26-13-3-4-17(23)14(9-13)12-2-1-5-22-10-12/h1-7,9-10,23H,8H2,(H,24,25)
InChIKeyBQVSQVFXKGWCRD-UHFFFAOYSA-N
XLogP5.18
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.22
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid (CID 23648118) is 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccnc3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid?
The InChIKey is BQVSQVFXKGWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4/c20-15-6-11(8-18(24)25)7-16(21)19(15)26-13-3-4-17(23)14(9-13)12-2-1-5-22-10-12/h1-7,9-10,23H,8H2,(H,24,25).
What are the key properties of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid?
2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid has a molecular weight of 390.22 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 23648118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).