2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde

C18H14F3N3O3 — CID 71621773

IUPAC2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CC(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)11-24-14(6-8-23-24)17-12(3-2-7-22-17)10-27-16-5-1-4-15(26)13(16)9-25/h1-9,26H,10-11H2
InChIKeyBUSDPAIYNWOKOG-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.60
Rot. Bonds6

About 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde

2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 71621773) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde
PubChem CID71621773
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CC(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)11-24-14(6-8-23-24)17-12(3-2-7-22-17)10-27-16-5-1-4-15(26)13(16)9-25/h1-9,26H,10-11H2
InChIKeyBUSDPAIYNWOKOG-UHFFFAOYSA-N
XLogP3.60
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde (CID 71621773) is 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde is O=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CC(F)(F)F.
What is the InChIKey of 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is BUSDPAIYNWOKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)11-24-14(6-8-23-24)17-12(3-2-7-22-17)10-27-16-5-1-4-15(26)13(16)9-25/h1-9,26H,10-11H2.
What are the key properties of 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde?
2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 377.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 71621773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).