3-fluoro-1,2-dihydropyridin-5-amine

C5H7FN2 — CID 90362436

IUPAC3-fluoro-1,2-dihydropyridin-5-amine
SMILESNC1=CNCC(F)=C1
InChIInChI=1S/C5H7FN2/c6-4-1-5(7)3-8-2-4/h1,3,8H,2,7H2
InChIKeyJOENWDGXTUZWMG-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.24
Rot. Bonds

About 3-fluoro-1,2-dihydropyridin-5-amine

3-fluoro-1,2-dihydropyridin-5-amine (PubChem CID 90362436) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 3-fluoro-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name3-fluoro-1,2-dihydropyridin-5-amine
PubChem CID90362436
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name3-fluoro-1,2-dihydropyridin-5-amine
SMILESNC1=CNCC(F)=C1
InChIInChI=1S/C5H7FN2/c6-4-1-5(7)3-8-2-4/h1,3,8H,2,7H2
InChIKeyJOENWDGXTUZWMG-UHFFFAOYSA-N
XLogP0.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,2-dihydropyridin-5-amine?
The IUPAC name of 3-fluoro-1,2-dihydropyridin-5-amine (CID 90362436) is 3-fluoro-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 3-fluoro-1,2-dihydropyridin-5-amine?
The canonical SMILES for 3-fluoro-1,2-dihydropyridin-5-amine is NC1=CNCC(F)=C1.
What is the InChIKey of 3-fluoro-1,2-dihydropyridin-5-amine?
The InChIKey is JOENWDGXTUZWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-4-1-5(7)3-8-2-4/h1,3,8H,2,7H2.
What are the key properties of 3-fluoro-1,2-dihydropyridin-5-amine?
3-fluoro-1,2-dihydropyridin-5-amine has a molecular weight of 114.12 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 90362436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).