5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C7H6N2S — CID 2743726

IUPAC5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1c[nH]c(=S)c(C#N)c1
InChIInChI=1S/C7H6N2S/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,1H3,(H,9,10)
InChIKeyHLASGKVMKXIMSD-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.92
Rot. Bonds

About 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 2743726) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID2743726
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1c[nH]c(=S)c(C#N)c1
InChIInChI=1S/C7H6N2S/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,1H3,(H,9,10)
InChIKeyHLASGKVMKXIMSD-UHFFFAOYSA-N
XLogP1.92
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.92
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 5-methyl-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 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 2743726) is 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is Cc1c[nH]c(=S)c(C#N)c1.
What is the InChIKey of 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is HLASGKVMKXIMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,1H3,(H,9,10).
What are the key properties of 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2743726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).