4-fluoro-3,4-dihydropyridine

C5H6FN — CID 150793545

IUPAC4-fluoro-3,4-dihydropyridine
SMILESFC1C=CN=CC1
InChIInChI=1S/C5H6FN/c6-5-1-3-7-4-2-5/h1,3-5H,2H2
InChIKeyKEIWJFJFWLEHRM-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.31
Rot. Bonds

About 4-fluoro-3,4-dihydropyridine

4-fluoro-3,4-dihydropyridine (PubChem CID 150793545) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 4-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name4-fluoro-3,4-dihydropyridine
PubChem CID150793545
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name4-fluoro-3,4-dihydropyridine
SMILESFC1C=CN=CC1
InChIInChI=1S/C5H6FN/c6-5-1-3-7-4-2-5/h1,3-5H,2H2
InChIKeyKEIWJFJFWLEHRM-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3H-pyrrole
CID 6857513
3,4-Dihydropyridine
CID 14550603
6-Fluoro-3,4-dihydropyridine
CID 67779683
3-bromo-3-fluoro-4H-pyridine
CID 66876809
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
CID 91428814
(4S)-4-fluoro-4,5-dihydro-3H-azepine
CID 122433696
3-Fluoro-4-methyl-3,4-dihydropyridine
CID 134377478
3-Fluoro-3,4-dihydropyridine
CID 143973155
2,4-Difluoro-3,4-dihydropyridine
CID 144175289
2-Fluoro-3,4-dihydropyridine
CID 144625209
(3Z)-3-(fluoromethylidene)-4-methylidenepyridine
CID 145446496
5-Fluoro-3,4-dihydropyridine
CID 147039461

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,4-dihydropyridine?
The IUPAC name of 4-fluoro-3,4-dihydropyridine (CID 150793545) is 4-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 4-fluoro-3,4-dihydropyridine?
The canonical SMILES for 4-fluoro-3,4-dihydropyridine is FC1C=CN=CC1.
What is the InChIKey of 4-fluoro-3,4-dihydropyridine?
The InChIKey is KEIWJFJFWLEHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-1-3-7-4-2-5/h1,3-5H,2H2.
What are the key properties of 4-fluoro-3,4-dihydropyridine?
4-fluoro-3,4-dihydropyridine has a molecular weight of 99.11 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 150793545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).