5-cyclopropyl-4-fluoro-1,2-dihydropyridine

C8H10FN — CID 172691746

IUPAC5-cyclopropyl-4-fluoro-1,2-dihydropyridine
SMILESFC1=CCNC=C1C1CC1
InChIInChI=1S/C8H10FN/c9-8-3-4-10-5-7(8)6-1-2-6/h3,5-6,10H,1-2,4H2
InChIKeyBTRNSNSANPDKOR-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.74
Rot. Bonds1

About 5-cyclopropyl-4-fluoro-1,2-dihydropyridine

5-cyclopropyl-4-fluoro-1,2-dihydropyridine (PubChem CID 172691746) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 5-cyclopropyl-4-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name5-cyclopropyl-4-fluoro-1,2-dihydropyridine
PubChem CID172691746
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name5-cyclopropyl-4-fluoro-1,2-dihydropyridine
SMILESFC1=CCNC=C1C1CC1
InChIInChI=1S/C8H10FN/c9-8-3-4-10-5-7(8)6-1-2-6/h3,5-6,10H,1-2,4H2
InChIKeyBTRNSNSANPDKOR-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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-fluoro-1,2-dihydropyridine?
The IUPAC name of 5-cyclopropyl-4-fluoro-1,2-dihydropyridine (CID 172691746) is 5-cyclopropyl-4-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 5-cyclopropyl-4-fluoro-1,2-dihydropyridine?
The canonical SMILES for 5-cyclopropyl-4-fluoro-1,2-dihydropyridine is FC1=CCNC=C1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-fluoro-1,2-dihydropyridine?
The InChIKey is BTRNSNSANPDKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-8-3-4-10-5-7(8)6-1-2-6/h3,5-6,10H,1-2,4H2.
What are the key properties of 5-cyclopropyl-4-fluoro-1,2-dihydropyridine?
5-cyclopropyl-4-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-4-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 172691746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).