6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde

C13H10FNO2 — CID 59255367

IUPAC6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(COc2ccc(F)cc2)nc1
InChIInChI=1S/C13H10FNO2/c14-11-2-5-13(6-3-11)17-9-12-4-1-10(8-16)7-15-12/h1-8H,9H2
InChIKeyMIPOGIYRJTXMNV-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.61
Rot. Bonds4

About 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde

6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde (PubChem CID 59255367) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde
PubChem CID59255367
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(COc2ccc(F)cc2)nc1
InChIInChI=1S/C13H10FNO2/c14-11-2-5-13(6-3-11)17-9-12-4-1-10(8-16)7-15-12/h1-8H,9H2
InChIKeyMIPOGIYRJTXMNV-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde (CID 59255367) is 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde is O=Cc1ccc(COc2ccc(F)cc2)nc1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde?
The InChIKey is MIPOGIYRJTXMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-2-5-13(6-3-11)17-9-12-4-1-10(8-16)7-15-12/h1-8H,9H2.
What are the key properties of 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde?
6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde 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 6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 59255367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).