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

C11H6F2N2S2 — CID 43831055

IUPAC4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(-c2cccs2)[nH]c1=S
InChIInChI=1S/C11H6F2N2S2/c12-10(13)6-4-8(9-2-1-3-17-9)15-11(16)7(6)5-14/h1-4,10H,(H,15,16)
InChIKeyBBUKUDPRJPRZCZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.28
Rot. Bonds2

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

4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 43831055) has the molecular formula C11H6F2N2S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID43831055
Molecular FormulaC11H6F2N2S2
Molecular Weight268.31 g/mol
Exact Mass267.99
IUPAC Name4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(-c2cccs2)[nH]c1=S
InChIInChI=1S/C11H6F2N2S2/c12-10(13)6-4-8(9-2-1-3-17-9)15-11(16)7(6)5-14/h1-4,10H,(H,15,16)
InChIKeyBBUKUDPRJPRZCZ-UHFFFAOYSA-N
XLogP4.28
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 43831055) is 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(-c2cccs2)[nH]c1=S.
What is the InChIKey of 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is BBUKUDPRJPRZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2S2/c12-10(13)6-4-8(9-2-1-3-17-9)15-11(16)7(6)5-14/h1-4,10H,(H,15,16).
What are the key properties of 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 268.31 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 43831055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).