5-fluoro-3,4-dihydropyridine

C5H6FN — CID 147039461

IUPAC5-fluoro-3,4-dihydropyridine
SMILESFC1=CN=CCC1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h3-4H,1-2H2
InChIKeyAZDYRIHTPNCYQT-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.66
Rot. Bonds

About 5-fluoro-3,4-dihydropyridine

5-fluoro-3,4-dihydropyridine (PubChem CID 147039461) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 5-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-3,4-dihydropyridine
PubChem CID147039461
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name5-fluoro-3,4-dihydropyridine
SMILESFC1=CN=CCC1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h3-4H,1-2H2
InChIKeyAZDYRIHTPNCYQT-UHFFFAOYSA-N
XLogP1.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydropyridine
CID 14550603
6-Fluoro-3,4-dihydropyridine
CID 67779683
5-(Trifluoromethyl)-3,4-dihydropyridine
CID 57162541
(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
CID 89024044
CID 89271901
CID 89271901
3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
5-Fluoro-3-methyl-3,4-dihydropyridine
CID 123967163
3-Fluoro-3,4-dihydropyridine
CID 143973155
2-Fluoro-3,4-dihydropyridine
CID 144625209
4-Fluoro-3,4-dihydropyridine
CID 150793545
5-Fluoro-4-methyl-3,4-dihydropyridine
CID 155454905

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-dihydropyridine?
The IUPAC name of 5-fluoro-3,4-dihydropyridine (CID 147039461) is 5-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 5-fluoro-3,4-dihydropyridine?
The canonical SMILES for 5-fluoro-3,4-dihydropyridine is FC1=CN=CCC1.
What is the InChIKey of 5-fluoro-3,4-dihydropyridine?
The InChIKey is AZDYRIHTPNCYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h3-4H,1-2H2.
What are the key properties of 5-fluoro-3,4-dihydropyridine?
5-fluoro-3,4-dihydropyridine has a molecular weight of 99.11 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 147039461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).