5-fluoro-1,2-dihydropyridin-1-ium

C5H7FN+ — CID 54269710

IUPAC5-fluoro-1,2-dihydropyridin-1-ium
SMILESFC1=C[NH2+]CC=C1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-2,4,7H,3H2/p+1
InChIKeyZAHDLPFRKCMIMO-UHFFFAOYSA-O
MW100.12 g/mol
LogP-0.07
Rot. Bonds

About 5-fluoro-1,2-dihydropyridin-1-ium

5-fluoro-1,2-dihydropyridin-1-ium (PubChem CID 54269710) has the molecular formula C5H7FN+ and a molecular weight of 100.12 g/mol. Its IUPAC name is 5-fluoro-1,2-dihydropyridin-1-ium.

Molecular Properties

Compound Name5-fluoro-1,2-dihydropyridin-1-ium
PubChem CID54269710
Molecular FormulaC5H7FN+
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name5-fluoro-1,2-dihydropyridin-1-ium
SMILESFC1=C[NH2+]CC=C1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-2,4,7H,3H2/p+1
InChIKeyZAHDLPFRKCMIMO-UHFFFAOYSA-O
XLogP-0.07
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2-dihydropyridin-1-ium?
The IUPAC name of 5-fluoro-1,2-dihydropyridin-1-ium (CID 54269710) is 5-fluoro-1,2-dihydropyridin-1-ium.
What is the SMILES notation for 5-fluoro-1,2-dihydropyridin-1-ium?
The canonical SMILES for 5-fluoro-1,2-dihydropyridin-1-ium is FC1=C[NH2+]CC=C1.
What is the InChIKey of 5-fluoro-1,2-dihydropyridin-1-ium?
The InChIKey is ZAHDLPFRKCMIMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-2,4,7H,3H2/p+1.
What are the key properties of 5-fluoro-1,2-dihydropyridin-1-ium?
5-fluoro-1,2-dihydropyridin-1-ium has a molecular weight of 100.12 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2-dihydropyridin-1-ium is sourced from PubChem (CID 54269710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).