3-fluoropyridine-2-carbaldehyde

C6H4FNO — CID 11344017

IUPAC3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ncccc1F
InChIInChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H
InChIKeyOZIMPUNGBUYCSP-UHFFFAOYSA-N
MW125.10 g/mol
LogP1.03
Rot. Bonds1

About 3-fluoropyridine-2-carbaldehyde

3-fluoropyridine-2-carbaldehyde (PubChem CID 11344017) has the molecular formula C6H4FNO and a molecular weight of 125.10 g/mol. Its IUPAC name is 3-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-fluoropyridine-2-carbaldehyde
PubChem CID11344017
Molecular FormulaC6H4FNO
Molecular Weight125.10 g/mol
Exact Mass125.03
IUPAC Name3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ncccc1F
InChIInChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H
InChIKeyOZIMPUNGBUYCSP-UHFFFAOYSA-N
XLogP1.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 51.03
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 3-fluoropyridine-2-carbaldehyde?
The IUPAC name of 3-fluoropyridine-2-carbaldehyde (CID 11344017) is 3-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 3-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 3-fluoropyridine-2-carbaldehyde is O=Cc1ncccc1F.
What is the InChIKey of 3-fluoropyridine-2-carbaldehyde?
The InChIKey is OZIMPUNGBUYCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H.
What are the key properties of 3-fluoropyridine-2-carbaldehyde?
3-fluoropyridine-2-carbaldehyde has a molecular weight of 125.10 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 11344017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).