3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile

C8H11FN2 — CID 126791112

IUPAC3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile
SMILESN#CCCN1CCC=C(F)C1
InChIInChI=1S/C8H11FN2/c9-8-3-1-5-11(7-8)6-2-4-10/h3H,1-2,5-7H2
InChIKeyMEDMRSNSJFIXBG-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.46
Rot. Bonds2

About 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile

3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile (PubChem CID 126791112) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile
PubChem CID126791112
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile
SMILESN#CCCN1CCC=C(F)C1
InChIInChI=1S/C8H11FN2/c9-8-3-1-5-11(7-8)6-2-4-10/h3H,1-2,5-7H2
InChIKeyMEDMRSNSJFIXBG-UHFFFAOYSA-N
XLogP1.46
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
The IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile (CID 126791112) is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile.
What is the SMILES notation for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
The canonical SMILES for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile is N#CCCN1CCC=C(F)C1.
What is the InChIKey of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
The InChIKey is MEDMRSNSJFIXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c9-8-3-1-5-11(7-8)6-2-4-10/h3H,1-2,5-7H2.
What are the key properties of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile has a molecular weight of 154.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanenitrile is sourced from PubChem (CID 126791112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).