5-(fluoromethyl)pyridine-2-carbaldehyde

C7H6FNO — CID 45079502

IUPAC5-(fluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(CF)cn1
InChIInChI=1S/C7H6FNO/c8-3-6-1-2-7(5-10)9-4-6/h1-2,4-5H,3H2
InChIKeyXXDCLDJEBGLWOD-UHFFFAOYSA-N
MW139.13 g/mol
LogP1.36
Rot. Bonds2

About 5-(fluoromethyl)pyridine-2-carbaldehyde

5-(fluoromethyl)pyridine-2-carbaldehyde (PubChem CID 45079502) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is 5-(fluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(fluoromethyl)pyridine-2-carbaldehyde
PubChem CID45079502
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name5-(fluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(CF)cn1
InChIInChI=1S/C7H6FNO/c8-3-6-1-2-7(5-10)9-4-6/h1-2,4-5H,3H2
InChIKeyXXDCLDJEBGLWOD-UHFFFAOYSA-N
XLogP1.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(fluoromethyl)pyridine-2-carbaldehyde (CID 45079502) is 5-(fluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(fluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(fluoromethyl)pyridine-2-carbaldehyde is O=Cc1ccc(CF)cn1.
What is the InChIKey of 5-(fluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is XXDCLDJEBGLWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-3-6-1-2-7(5-10)9-4-6/h1-2,4-5H,3H2.
What are the key properties of 5-(fluoromethyl)pyridine-2-carbaldehyde?
5-(fluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 139.13 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 45079502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).