2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile

C7H9FN2O2S — CID 130678384

IUPAC2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile
SMILESN#CCS(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C7H9FN2O2S/c8-7-2-1-4-10(6-7)13(11,12)5-3-9/h2H,1,4-6H2
InChIKeyCGXFGYGIJXRPHO-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.40
Rot. Bonds2

About 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile

2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile (PubChem CID 130678384) has the molecular formula C7H9FN2O2S and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile.

Molecular Properties

Compound Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile
PubChem CID130678384
Molecular FormulaC7H9FN2O2S
Molecular Weight204.23 g/mol
Exact Mass204.04
IUPAC Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile
SMILESN#CCS(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C7H9FN2O2S/c8-7-2-1-4-10(6-7)13(11,12)5-3-9/h2H,1,4-6H2
InChIKeyCGXFGYGIJXRPHO-UHFFFAOYSA-N
XLogP0.40
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile?
The IUPAC name of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile (CID 130678384) is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile.
What is the SMILES notation for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile?
The canonical SMILES for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile is N#CCS(=O)(=O)N1CCC=C(F)C1.
What is the InChIKey of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile?
The InChIKey is CGXFGYGIJXRPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2S/c8-7-2-1-4-10(6-7)13(11,12)5-3-9/h2H,1,4-6H2.
What are the key properties of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile?
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile is sourced from PubChem (CID 130678384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).