5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde

C17H9ClF3NO3 — CID 169332944

IUPAC5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Oc3cccc(C(F)(F)F)n3)c(Cl)c2)o1
InChIInChI=1S/C17H9ClF3NO3/c18-12-8-10(13-7-5-11(9-23)24-13)4-6-14(12)25-16-3-1-2-15(22-16)17(19,20)21/h1-9H
InChIKeyYQGOGJHKWKIQIR-UHFFFAOYSA-N
MW367.71 g/mol
LogP5.62
Rot. Bonds4

About 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde

5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde (PubChem CID 169332944) has the molecular formula C17H9ClF3NO3 and a molecular weight of 367.71 g/mol. Its IUPAC name is 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde
PubChem CID169332944
Molecular FormulaC17H9ClF3NO3
Molecular Weight367.71 g/mol
Exact Mass367.02
IUPAC Name5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Oc3cccc(C(F)(F)F)n3)c(Cl)c2)o1
InChIInChI=1S/C17H9ClF3NO3/c18-12-8-10(13-7-5-11(9-23)24-13)4-6-14(12)25-16-3-1-2-15(22-16)17(19,20)21/h1-9H
InChIKeyYQGOGJHKWKIQIR-UHFFFAOYSA-N
XLogP5.62
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde (CID 169332944) is 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(Oc3cccc(C(F)(F)F)n3)c(Cl)c2)o1.
What is the InChIKey of 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde?
The InChIKey is YQGOGJHKWKIQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO3/c18-12-8-10(13-7-5-11(9-23)24-13)4-6-14(12)25-16-3-1-2-15(22-16)17(19,20)21/h1-9H.
What are the key properties of 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde?
5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde has a molecular weight of 367.71 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).