5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde

C17H11F6NO2 — CID 142414995

IUPAC5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1cnc(Oc2ccc(C3(C(F)(F)C(F)(F)F)CC3)cc2)c(F)c1
InChIInChI=1S/C17H11F6NO2/c18-13-7-10(9-25)8-24-14(13)26-12-3-1-11(2-4-12)15(5-6-15)16(19,20)17(21,22)23/h1-4,7-9H,5-6H2
InChIKeyUVAYLGRHIIYPMO-UHFFFAOYSA-N
MW375.27 g/mol
LogP5.05
Rot. Bonds5

About 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde

5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde (PubChem CID 142414995) has the molecular formula C17H11F6NO2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde
PubChem CID142414995
Molecular FormulaC17H11F6NO2
Molecular Weight375.27 g/mol
Exact Mass375.07
IUPAC Name5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1cnc(Oc2ccc(C3(C(F)(F)C(F)(F)F)CC3)cc2)c(F)c1
InChIInChI=1S/C17H11F6NO2/c18-13-7-10(9-25)8-24-14(13)26-12-3-1-11(2-4-12)15(5-6-15)16(19,20)17(21,22)23/h1-4,7-9H,5-6H2
InChIKeyUVAYLGRHIIYPMO-UHFFFAOYSA-N
XLogP5.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.27
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde (CID 142414995) is 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde is O=Cc1cnc(Oc2ccc(C3(C(F)(F)C(F)(F)F)CC3)cc2)c(F)c1.
What is the InChIKey of 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde?
The InChIKey is UVAYLGRHIIYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6NO2/c18-13-7-10(9-25)8-24-14(13)26-12-3-1-11(2-4-12)15(5-6-15)16(19,20)17(21,22)23/h1-4,7-9H,5-6H2.
What are the key properties of 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde?
5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde has a molecular weight of 375.27 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 142414995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).