2-fluoro-2,3-dihydropyridine-4-carbaldehyde

C6H6FNO — CID 91190658

IUPAC2-fluoro-2,3-dihydropyridine-4-carbaldehyde
SMILESO=CC1=CC=NC(F)C1
InChIInChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-2,4,6H,3H2
InChIKeyRFOMFUYLRBAELR-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.88
Rot. Bonds1

About 2-fluoro-2,3-dihydropyridine-4-carbaldehyde

2-fluoro-2,3-dihydropyridine-4-carbaldehyde (PubChem CID 91190658) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-fluoro-2,3-dihydropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-2,3-dihydropyridine-4-carbaldehyde
PubChem CID91190658
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name2-fluoro-2,3-dihydropyridine-4-carbaldehyde
SMILESO=CC1=CC=NC(F)C1
InChIInChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-2,4,6H,3H2
InChIKeyRFOMFUYLRBAELR-UHFFFAOYSA-N
XLogP0.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-2,3-dihydropyridine-4-carbaldehyde 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-(Trifluoromethyl)-2,3-dihydropyridine-5-carbaldehyde
CID 123230311
3-Fluoro-2,3-dihydropyridine-5-carbaldehyde
CID 143681207
3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde
CID 78292265
2,3-Dihydropyridine-5-carbaldehyde
CID 53647127
2,3-Dihydropyridine-4-carbaldehyde
CID 88219546
2-oxo-3H-pyridine-4-carbaldehyde
CID 91254426
(E)-2-ethyl-4-methyliminobut-2-enal
CID 143560643
3-Methyl-2,3-dihydropyridine-4-carbaldehyde
CID 163702853
2,5-Dihydropyridine-4-carbaldehyde
CID 174658894

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dihydropyridine-4-carbaldehyde?
The IUPAC name of 2-fluoro-2,3-dihydropyridine-4-carbaldehyde (CID 91190658) is 2-fluoro-2,3-dihydropyridine-4-carbaldehyde.
What is the SMILES notation for 2-fluoro-2,3-dihydropyridine-4-carbaldehyde?
The canonical SMILES for 2-fluoro-2,3-dihydropyridine-4-carbaldehyde is O=CC1=CC=NC(F)C1.
What is the InChIKey of 2-fluoro-2,3-dihydropyridine-4-carbaldehyde?
The InChIKey is RFOMFUYLRBAELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-2,4,6H,3H2.
What are the key properties of 2-fluoro-2,3-dihydropyridine-4-carbaldehyde?
2-fluoro-2,3-dihydropyridine-4-carbaldehyde has a molecular weight of 127.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dihydropyridine-4-carbaldehyde is sourced from PubChem (CID 91190658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).