6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C10H7F3N2S — CID 943182

IUPAC6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)[nH]c1=S
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-3-8(5-1-2-5)15-9(16)6(7)4-14/h3,5H,1-2H2,(H,15,16)
InChIKeyLIDGXYBPNYAKNN-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.51
Rot. Bonds1

About 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 943182) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID943182
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)[nH]c1=S
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-3-8(5-1-2-5)15-9(16)6(7)4-14/h3,5H,1-2H2,(H,15,16)
InChIKeyLIDGXYBPNYAKNN-UHFFFAOYSA-N
XLogP3.51
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 943182) is 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C2CC2)[nH]c1=S.
What is the InChIKey of 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is LIDGXYBPNYAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-8(5-1-2-5)15-9(16)6(7)4-14/h3,5H,1-2H2,(H,15,16).
What are the key properties of 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 244.24 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 943182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).