5-cyclopropyl-6-fluoro-1,2-dihydropyridine

C8H10FN — CID 171097215

IUPAC5-cyclopropyl-6-fluoro-1,2-dihydropyridine
SMILESFC1=C(C2CC2)C=CCN1
InChIInChI=1S/C8H10FN/c9-8-7(6-3-4-6)2-1-5-10-8/h1-2,6,10H,3-5H2
InChIKeyHEJCEEUZRFZGKQ-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.74
Rot. Bonds1

About 5-cyclopropyl-6-fluoro-1,2-dihydropyridine

5-cyclopropyl-6-fluoro-1,2-dihydropyridine (PubChem CID 171097215) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 5-cyclopropyl-6-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name5-cyclopropyl-6-fluoro-1,2-dihydropyridine
PubChem CID171097215
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name5-cyclopropyl-6-fluoro-1,2-dihydropyridine
SMILESFC1=C(C2CC2)C=CCN1
InChIInChI=1S/C8H10FN/c9-8-7(6-3-4-6)2-1-5-10-8/h1-2,6,10H,3-5H2
InChIKeyHEJCEEUZRFZGKQ-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-fluoro-1,2-dihydropyridine?
The IUPAC name of 5-cyclopropyl-6-fluoro-1,2-dihydropyridine (CID 171097215) is 5-cyclopropyl-6-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 5-cyclopropyl-6-fluoro-1,2-dihydropyridine?
The canonical SMILES for 5-cyclopropyl-6-fluoro-1,2-dihydropyridine is FC1=C(C2CC2)C=CCN1.
What is the InChIKey of 5-cyclopropyl-6-fluoro-1,2-dihydropyridine?
The InChIKey is HEJCEEUZRFZGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-8-7(6-3-4-6)2-1-5-10-8/h1-2,6,10H,3-5H2.
What are the key properties of 5-cyclopropyl-6-fluoro-1,2-dihydropyridine?
5-cyclopropyl-6-fluoro-1,2-dihydropyridine has a molecular weight of 139.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 171097215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).