3-fluoropyridine-4-carbaldehyde;hydrofluoride

C6H5F2NO — CID 74891092

IUPAC3-fluoropyridine-4-carbaldehyde;hydrofluoride
SMILESF.O=Cc1ccncc1F
InChIInChI=1S/C6H4FNO.FH/c7-6-3-8-2-1-5(6)4-9;/h1-4H;1H
InChIKeyWXSZLZMWWAZMGM-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.19
Rot. Bonds1

About 3-fluoropyridine-4-carbaldehyde;hydrofluoride

3-fluoropyridine-4-carbaldehyde;hydrofluoride (PubChem CID 74891092) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 3-fluoropyridine-4-carbaldehyde;hydrofluoride.

Molecular Properties

Compound Name3-fluoropyridine-4-carbaldehyde;hydrofluoride
PubChem CID74891092
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name3-fluoropyridine-4-carbaldehyde;hydrofluoride
SMILESF.O=Cc1ccncc1F
InChIInChI=1S/C6H4FNO.FH/c7-6-3-8-2-1-5(6)4-9;/h1-4H;1H
InChIKeyWXSZLZMWWAZMGM-UHFFFAOYSA-N
XLogP1.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoropyridine-4-carbaldehyde;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
CID 169447869
trifluoro-(4-formyl-3-pyridinyl)boranuide
CID 57416948
2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde
CID 121367745
4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde
CID 118812839
3-fluoro-4-(2-phenylethenyl)pyridine
CID 54568190
3-pyridin-4-ylpyridine-4-carbaldehyde
CID 46316056
3-trimethylstannylpyridine-4-carbaldehyde
CID 10378405
2-(3-fluoro-4-pyridinyl)acetaldehyde
CID 87110960
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352
1,7-naphthyridine-4-carbaldehyde
CID 87323322
4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
CID 121367744
2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde
CID 66280367

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridine-4-carbaldehyde;hydrofluoride?
The IUPAC name of 3-fluoropyridine-4-carbaldehyde;hydrofluoride (CID 74891092) is 3-fluoropyridine-4-carbaldehyde;hydrofluoride.
What is the SMILES notation for 3-fluoropyridine-4-carbaldehyde;hydrofluoride?
The canonical SMILES for 3-fluoropyridine-4-carbaldehyde;hydrofluoride is F.O=Cc1ccncc1F.
What is the InChIKey of 3-fluoropyridine-4-carbaldehyde;hydrofluoride?
The InChIKey is WXSZLZMWWAZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO.FH/c7-6-3-8-2-1-5(6)4-9;/h1-4H;1H.
What are the key properties of 3-fluoropyridine-4-carbaldehyde;hydrofluoride?
3-fluoropyridine-4-carbaldehyde;hydrofluoride has a molecular weight of 145.11 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyridine-4-carbaldehyde;hydrofluoride is sourced from PubChem (CID 74891092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).