4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid

C18H19ClFNO4 — CID 121447327

IUPAC4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid
SMILESCC(C)Oc1cccc(-c2cc(F)c(OCCCC(=O)O)c(Cl)c2)n1
InChIInChI=1S/C18H19ClFNO4/c1-11(2)25-16-6-3-5-15(21-16)12-9-13(19)18(14(20)10-12)24-8-4-7-17(22)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23)
InChIKeyJKBLOYYEEWGIDL-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.57
Rot. Bonds8

About 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid

4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid (PubChem CID 121447327) has the molecular formula C18H19ClFNO4 and a molecular weight of 367.80 g/mol. Its IUPAC name is 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid
PubChem CID121447327
Molecular FormulaC18H19ClFNO4
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid
SMILESCC(C)Oc1cccc(-c2cc(F)c(OCCCC(=O)O)c(Cl)c2)n1
InChIInChI=1S/C18H19ClFNO4/c1-11(2)25-16-6-3-5-15(21-16)12-9-13(19)18(14(20)10-12)24-8-4-7-17(22)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23)
InChIKeyJKBLOYYEEWGIDL-UHFFFAOYSA-N
XLogP4.57
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(3-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10047140
6-[4-(2-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 10386030
4-[2-Chloro-4-(4-cyclobutyloxy-6-methylpyrimidin-2-yl)-6-fluorophenoxy]butanoic acid
CID 121446813
4-[4-[6-(Cyclobutylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]butanoic acid
CID 121447074
4-[4-(6-Chloro-4-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenoxy]butanoic acid
CID 121447182
4-[2-Chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluorophenoxy]butanoic acid
CID 121447187
4-[2-Chloro-4-(6-cyclopentyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid
CID 121447192
5-[4-(5-Chloro-6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]hexanoic acid
CID 121447195
4-[4-(6-Cyclobutyloxy-4-methyl-2-pyridinyl)-2,6-difluorophenoxy]butanoic acid
CID 121447287
2-[[4-[6-(Cyclopropylmethoxy)-2-pyridinyl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid
CID 121447294
4-[2-Chloro-4-(6-cyclobutyloxy-2-pyridinyl)-6-fluorophenoxy]butanoic acid
CID 121447330
4-[2-Chloro-4-[6-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]-6-fluorophenoxy]butanoic acid
CID 121447348

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid?
The IUPAC name of 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid (CID 121447327) is 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid.
What is the SMILES notation for 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid?
The canonical SMILES for 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid is CC(C)Oc1cccc(-c2cc(F)c(OCCCC(=O)O)c(Cl)c2)n1.
What is the InChIKey of 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid?
The InChIKey is JKBLOYYEEWGIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4/c1-11(2)25-16-6-3-5-15(21-16)12-9-13(19)18(14(20)10-12)24-8-4-7-17(22)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid?
4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid has a molecular weight of 367.80 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-fluoro-4-(6-propan-2-yloxy-2-pyridinyl)phenoxy]butanoic acid is sourced from PubChem (CID 121447327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).