4-fluoro-1,2-dihydropyridine

C5H6FN — CID 18523056

IUPAC4-fluoro-1,2-dihydropyridine
SMILESFC1=CCNC=C1
InChIInChI=1S/C5H6FN/c6-5-1-3-7-4-2-5/h1-3,7H,4H2
InChIKeyFUIPAEOSSSEELV-UHFFFAOYSA-N
MW99.11 g/mol
LogP0.96
Rot. Bonds

About 4-fluoro-1,2-dihydropyridine

4-fluoro-1,2-dihydropyridine (PubChem CID 18523056) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 4-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name4-fluoro-1,2-dihydropyridine
PubChem CID18523056
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name4-fluoro-1,2-dihydropyridine
SMILESFC1=CCNC=C1
InChIInChI=1S/C5H6FN/c6-5-1-3-7-4-2-5/h1-3,7H,4H2
InChIKeyFUIPAEOSSSEELV-UHFFFAOYSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydropyridines
CID 407038
1,2-Dihydropyridin-1-ium
CID 21954005
2-Fluoro-2-chloropyridine
CID 67167547
AC1O0S2S
CID 6100695
Hydrochloric acid dihydropyridine
CID 20068859
1h-Pyridinium chloride
CID 129796510
3-(Trifluoromethyl)-1,2-dihydropyridine
CID 18330446
4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
2,3-Difluoro-1,2-dihydropyridine
CID 18619801
2,4-Difluoro-1,2-dihydropyridine
CID 18619816
2-Fluoro-1,2-dihydropyridine
CID 18619817
2,6-Difluoro-1,2-dihydropyridine
CID 18619825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-dihydropyridine?
The IUPAC name of 4-fluoro-1,2-dihydropyridine (CID 18523056) is 4-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 4-fluoro-1,2-dihydropyridine?
The canonical SMILES for 4-fluoro-1,2-dihydropyridine is FC1=CCNC=C1.
What is the InChIKey of 4-fluoro-1,2-dihydropyridine?
The InChIKey is FUIPAEOSSSEELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-1-3-7-4-2-5/h1-3,7H,4H2.
What are the key properties of 4-fluoro-1,2-dihydropyridine?
4-fluoro-1,2-dihydropyridine has a molecular weight of 99.11 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 18523056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).