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

C10H8F2N2S — CID 43831044

IUPAC6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(C2CC2)[nH]c1=S
InChIInChI=1S/C10H8F2N2S/c11-9(12)6-3-8(5-1-2-5)14-10(15)7(6)4-13/h3,5,9H,1-2H2,(H,14,15)
InChIKeyOVMFHJXCLIDNEX-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.43
Rot. Bonds2

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

6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 43831044) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID43831044
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(C2CC2)[nH]c1=S
InChIInChI=1S/C10H8F2N2S/c11-9(12)6-3-8(5-1-2-5)14-10(15)7(6)4-13/h3,5,9H,1-2H2,(H,14,15)
InChIKeyOVMFHJXCLIDNEX-UHFFFAOYSA-N
XLogP3.43
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.43
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'}

Analyze 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 43831044) is 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(C2CC2)[nH]c1=S.
What is the InChIKey of 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is OVMFHJXCLIDNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c11-9(12)6-3-8(5-1-2-5)14-10(15)7(6)4-13/h3,5,9H,1-2H2,(H,14,15).
What are the key properties of 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 226.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 43831044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).