6-(1-fluoroethyl)pyridine-2-carbaldehyde

C8H8FNO — CID 19361728

IUPAC6-(1-fluoroethyl)pyridine-2-carbaldehyde
SMILESCC(F)c1cccc(C=O)n1
InChIInChI=1S/C8H8FNO/c1-6(9)8-4-2-3-7(5-11)10-8/h2-6H,1H3
InChIKeyRMORKSZSEDGRTN-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.92
Rot. Bonds2

About 6-(1-fluoroethyl)pyridine-2-carbaldehyde

6-(1-fluoroethyl)pyridine-2-carbaldehyde (PubChem CID 19361728) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 6-(1-fluoroethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-fluoroethyl)pyridine-2-carbaldehyde
PubChem CID19361728
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name6-(1-fluoroethyl)pyridine-2-carbaldehyde
SMILESCC(F)c1cccc(C=O)n1
InChIInChI=1S/C8H8FNO/c1-6(9)8-4-2-3-7(5-11)10-8/h2-6H,1H3
InChIKeyRMORKSZSEDGRTN-UHFFFAOYSA-N
XLogP1.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.92
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 6-(1-fluoroethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(1-fluoroethyl)pyridine-2-carbaldehyde (CID 19361728) is 6-(1-fluoroethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(1-fluoroethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(1-fluoroethyl)pyridine-2-carbaldehyde is CC(F)c1cccc(C=O)n1.
What is the InChIKey of 6-(1-fluoroethyl)pyridine-2-carbaldehyde?
The InChIKey is RMORKSZSEDGRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-6(9)8-4-2-3-7(5-11)10-8/h2-6H,1H3.
What are the key properties of 6-(1-fluoroethyl)pyridine-2-carbaldehyde?
6-(1-fluoroethyl)pyridine-2-carbaldehyde has a molecular weight of 153.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 19361728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).