(2S)-2-fluoro-2,5-dihydropyridine

C5H6FN — CID 91143792

IUPAC(2S)-2-fluoro-2,5-dihydropyridine
SMILESF[C@H]1C=CCC=N1
InChIInChI=1S/C5H6FN/c6-5-3-1-2-4-7-5/h1,3-5H,2H2/t5-/m1/s1
InChIKeyJOJZAKZOZXAMLE-RXMQYKEDSA-N
MW99.11 g/mol
LogP1.31
Rot. Bonds

About (2S)-2-fluoro-2,5-dihydropyridine

(2S)-2-fluoro-2,5-dihydropyridine (PubChem CID 91143792) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is (2S)-2-fluoro-2,5-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-fluoro-2,5-dihydropyridine
PubChem CID91143792
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name(2S)-2-fluoro-2,5-dihydropyridine
SMILESF[C@H]1C=CCC=N1
InChIInChI=1S/C5H6FN/c6-5-3-1-2-4-7-5/h1,3-5H,2H2/t5-/m1/s1
InChIKeyJOJZAKZOZXAMLE-RXMQYKEDSA-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

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydropyridine
CID 15738596
2,3-Dihydropyridine
CID 13347754
2-Fluoro-2,3-dihydropyridine
CID 54085820
5-fluoro-3H-pyridin-1-ium
CID 57109378
4-fluoro-3H-pyridin-1-ium
CID 57288424
5-bromo-5-fluoro-2H-pyridine
CID 66876808
3-Fluoro-2,3-dihydropyridine
CID 68024004
5-chloro-2,5-difluoro-2H-pyridine
CID 69910111
3,3-difluoro-2H-pyridine
CID 90015074
5-Fluoro-2,3-dihydropyridine
CID 90926903
4-(Trifluoromethyl)-2,5-dihydropyridine
CID 91046941
(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine
CID 91526473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2,5-dihydropyridine?
The IUPAC name of (2S)-2-fluoro-2,5-dihydropyridine (CID 91143792) is (2S)-2-fluoro-2,5-dihydropyridine.
What is the SMILES notation for (2S)-2-fluoro-2,5-dihydropyridine?
The canonical SMILES for (2S)-2-fluoro-2,5-dihydropyridine is F[C@H]1C=CCC=N1.
What is the InChIKey of (2S)-2-fluoro-2,5-dihydropyridine?
The InChIKey is JOJZAKZOZXAMLE-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-3-1-2-4-7-5/h1,3-5H,2H2/t5-/m1/s1.
What are the key properties of (2S)-2-fluoro-2,5-dihydropyridine?
(2S)-2-fluoro-2,5-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 (2S)-2-fluoro-2,5-dihydropyridine is sourced from PubChem (CID 91143792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).