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

C19H13Cl2NO4 — CID 135559141

IUPAC2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO4/c20-14-7-11(9-18(24)25)8-15(21)19(14)26-12-4-5-17(23)13(10-12)16-3-1-2-6-22-16/h1-8,10,23H,9H2,(H,24,25)
InChIKeyLZXPUGQXWRWMGH-UHFFFAOYSA-N
MW390.22 g/mol
LogP5.18
Rot. Bonds5

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

2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid (PubChem CID 135559141) 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-2-ylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid
PubChem CID135559141
Molecular FormulaC19H13Cl2NO4
Molecular Weight390.22 g/mol
Exact Mass389.02
IUPAC Name2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO4/c20-14-7-11(9-18(24)25)8-15(21)19(14)26-12-4-5-17(23)13(10-12)16-3-1-2-6-22-16/h1-8,10,23H,9H2,(H,24,25)
InChIKeyLZXPUGQXWRWMGH-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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Related Compounds

2-{3,5-Dichloro-4-[4-hydroxy-3-(pyridin-3-yl)phenoxy]phenyl}acetic acid
CID 23648118
2-{3,5-Dichloro-4-[4-hydroxy-3-(pyridin-4-yl)phenoxy]phenyl}acetic acid
CID 135559142
3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11247654
[3-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]phenyl]methyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 57713117
[3-[2-Chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 57713152
[3-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]phenyl]methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
CID 57713236
methyl (2S)-3-[3,5-dichloro-4-[4-hydroxy-3-[(6-methoxy-3-pyridinyl)methyl]phenoxy]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 141551737
[3-[2-Chloro-4-(1,1-difluoroethyl)-6-methylphenoxy]phenyl]methyl 2-methylidene-3-pyridin-2-ylhexanoate
CID 143147524
[3-[2-Chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl 2-[cyclopropyl(pyridin-2-yl)methyl]prop-2-enoate
CID 143147593
6,8-Dichloro-3-(2-pyridyl)coumarin
CID 23969165
(3-Methyl-2-pyridin-2-ylphenyl) 3-chlorobenzoate
CID 135066629
(2-Pyridin-2-ylphenyl) 3-chlorobenzoate
CID 135067623

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid (CID 135559141) is 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid?
The InChIKey is LZXPUGQXWRWMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4/c20-14-7-11(9-18(24)25)8-15(21)19(14)26-12-4-5-17(23)13(10-12)16-3-1-2-6-22-16/h1-8,10,23H,9H2,(H,24,25).
What are the key properties of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-ylphenoxy)phenyl]acetic acid?
2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-2-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-2-ylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 135559141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).