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

C19H13Cl2NO4 — CID 135559142

IUPAC2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccncc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO4/c20-15-7-11(9-18(24)25)8-16(21)19(15)26-13-1-2-17(23)14(10-13)12-3-5-22-6-4-12/h1-8,10,23H,9H2,(H,24,25)
InChIKeyPUUWWSIUTRYHMF-UHFFFAOYSA-N
MW390.22 g/mol
LogP5.18
Rot. Bonds5

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

2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid (PubChem CID 135559142) 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-4-ylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid
PubChem CID135559142
Molecular FormulaC19H13Cl2NO4
Molecular Weight390.22 g/mol
Exact Mass389.02
IUPAC Name2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccncc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO4/c20-15-7-11(9-18(24)25)8-16(21)19(15)26-13-1-2-17(23)14(10-13)12-3-5-22-6-4-12/h1-8,10,23H,9H2,(H,24,25)
InChIKeyPUUWWSIUTRYHMF-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-(pyrimidin-5-yl)phenoxy]phenyl}acetic acid
CID 23644731
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-2-yl)phenoxy]phenyl}acetic acid
CID 135559141
2-(2,4-Dichlorophenoxy)-5-(pyridin-3-yl)phenol
CID 25023970
3-Chloro-4-[(5-trifluoromethylpyridin-2-yl)oxy]phenylacetic acid
CID 19082074
5-[5-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-hydroxyphenyl]pent-4-enoic acid
CID 57128789
[3-[2-Chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
CID 57713188
[3-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]phenyl]methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
CID 57713236
(E)-5-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-hydroxyphenyl]pent-4-enoic acid
CID 67858734
2-[2-[[3,5-Dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]methyl]phenyl]-3-methylbut-2-enoic acid
CID 69303187
2-[2-[[3,5-Dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]methyl]phenyl]-3-methoxybut-2-enoic acid
CID 69303188
(E)-2-[2-[[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]methyl]phenyl]-3-methoxyprop-2-enoic acid
CID 69683764

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid (CID 135559142) is 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccncc3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid?
The InChIKey is PUUWWSIUTRYHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4/c20-15-7-11(9-18(24)25)8-16(21)19(15)26-13-1-2-17(23)14(10-13)12-3-5-22-6-4-12/h1-8,10,23H,9H2,(H,24,25).
What are the key properties of 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-ylphenoxy)phenyl]acetic acid?
2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-4-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-4-ylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 135559142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).