2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile

C11H7FN2S — CID 43840498

IUPAC2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile
SMILESN#CCSc1ccnc2ccc(F)cc12
InChIInChI=1S/C11H7FN2S/c12-8-1-2-10-9(7-8)11(3-5-14-10)15-6-4-13/h1-3,5,7H,6H2
InChIKeyKEWDHXFCEVHZHF-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.99
Rot. Bonds2

About 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile

2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile (PubChem CID 43840498) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile
PubChem CID43840498
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile
SMILESN#CCSc1ccnc2ccc(F)cc12
InChIInChI=1S/C11H7FN2S/c12-8-1-2-10-9(7-8)11(3-5-14-10)15-6-4-13/h1-3,5,7H,6H2
InChIKeyKEWDHXFCEVHZHF-UHFFFAOYSA-N
XLogP2.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile?
The IUPAC name of 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile (CID 43840498) is 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile is N#CCSc1ccnc2ccc(F)cc12.
What is the InChIKey of 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile?
The InChIKey is KEWDHXFCEVHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/c12-8-1-2-10-9(7-8)11(3-5-14-10)15-6-4-13/h1-3,5,7H,6H2.
What are the key properties of 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile?
2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile has a molecular weight of 218.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile is sourced from PubChem (CID 43840498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).