4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde

C13H10FNO2 — CID 59255507

IUPAC4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde
SMILESO=Cc1ccc(COc2cccc(F)n2)cc1
InChIInChI=1S/C13H10FNO2/c14-12-2-1-3-13(15-12)17-9-11-6-4-10(8-16)5-7-11/h1-8H,9H2
InChIKeyVVYLCNCHJAFUGR-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.61
Rot. Bonds4

About 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde

4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde (PubChem CID 59255507) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde
PubChem CID59255507
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde
SMILESO=Cc1ccc(COc2cccc(F)n2)cc1
InChIInChI=1S/C13H10FNO2/c14-12-2-1-3-13(15-12)17-9-11-6-4-10(8-16)5-7-11/h1-8H,9H2
InChIKeyVVYLCNCHJAFUGR-UHFFFAOYSA-N
XLogP2.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde (CID 59255507) is 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde is O=Cc1ccc(COc2cccc(F)n2)cc1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde?
The InChIKey is VVYLCNCHJAFUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-2-1-3-13(15-12)17-9-11-6-4-10(8-16)5-7-11/h1-8H,9H2.
What are the key properties of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde?
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde has a molecular weight of 231.23 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzaldehyde is sourced from PubChem (CID 59255507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).