2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

C19H18FN3O2 — CID 71621777

IUPAC2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1cccc(F)c1C=O
InChIInChI=1S/C19H18FN3O2/c1-13(2)23-17(8-10-22-23)19-14(5-4-9-21-19)12-25-18-7-3-6-16(20)15(18)11-24/h3-11,13H,12H2,1-2H3
InChIKeyGTAYSDREQLXNMN-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.06
Rot. Bonds6

About 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 71621777) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
PubChem CID71621777
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1cccc(F)c1C=O
InChIInChI=1S/C19H18FN3O2/c1-13(2)23-17(8-10-22-23)19-14(5-4-9-21-19)12-25-18-7-3-6-16(20)15(18)11-24/h3-11,13H,12H2,1-2H3
InChIKeyGTAYSDREQLXNMN-UHFFFAOYSA-N
XLogP4.06
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (CID 71621777) is 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is CC(C)n1nccc1-c1ncccc1COc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is GTAYSDREQLXNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13(2)23-17(8-10-22-23)19-14(5-4-9-21-19)12-25-18-7-3-6-16(20)15(18)11-24/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 339.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 71621777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).