3-Fluoro-2,3-dihydropyridine

C5H6FN — CID 68024004

IUPAC3-fluoro-2,3-dihydropyridine
SMILESC1C(C=CC=N1)F
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-3,5H,4H2
InChIKeyUEKQOEUXOCQRNY-UHFFFAOYSA-N
MW99.11 g/mol
LogP0.10
Rot. Bonds

About 3-Fluoro-2,3-dihydropyridine

3-Fluoro-2,3-dihydropyridine (PubChem CID 68024004) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 3-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name3-Fluoro-2,3-dihydropyridine
PubChem CID68024004
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name3-fluoro-2,3-dihydropyridine
SMILESC1C(C=CC=N1)F
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-3,5H,4H2
InChIKeyUEKQOEUXOCQRNY-UHFFFAOYSA-N
XLogP0.10
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity107

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-Fluoro-2,3-dihydropyridine?
The IUPAC name of 3-Fluoro-2,3-dihydropyridine (CID 68024004) is 3-fluoro-2,3-dihydropyridine.
What is the SMILES notation for 3-Fluoro-2,3-dihydropyridine?
The canonical SMILES for 3-Fluoro-2,3-dihydropyridine is C1C(C=CC=N1)F.
What is the InChIKey of 3-Fluoro-2,3-dihydropyridine?
The InChIKey is UEKQOEUXOCQRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-3,5H,4H2.
What are the key properties of 3-Fluoro-2,3-dihydropyridine?
3-Fluoro-2,3-dihydropyridine has a molecular weight of 99.11 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Fluoro-2,3-dihydropyridine is sourced from PubChem (CID 68024004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).