2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile

C10H8N2S — CID 168749767

IUPAC2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile
SMILESCC#Cc1ccc(C#N)c(SC)n1
InChIInChI=1S/C10H8N2S/c1-3-4-9-6-5-8(7-11)10(12-9)13-2/h5-6H,1-2H3
InChIKeyHBOKVSMZNHUIPK-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.05
Rot. Bonds1

About 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile

2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile (PubChem CID 168749767) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile
PubChem CID168749767
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile
SMILESCC#Cc1ccc(C#N)c(SC)n1
InChIInChI=1S/C10H8N2S/c1-3-4-9-6-5-8(7-11)10(12-9)13-2/h5-6H,1-2H3
InChIKeyHBOKVSMZNHUIPK-UHFFFAOYSA-N
XLogP2.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methylsulfanyl-6-prop-1-ynylpyridine-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

Related Compounds

6-ethyl-2-methylsulfanylpyridine-3-carbonitrile
CID 58990449
6-(4-fluorophenyl)-2-methylsulfanylpyridine-3-carbonitrile
CID 2765290
3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid
CID 170872659
6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile
CID 2745258
6-[3-[2-(4-hydroxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-2-methylsulfanylpyridine-3-carbonitrile
CID 3866355
5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile
CID 12873765
2-methylsulfanyl-6-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 74227141
3,6-bis[2-[4-(dimethylamino)phenyl]ethynyl]pyridine-2-carbonitrile
CID 53231629
2-(4-methylphenyl)-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 834813
5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile
CID 56994300
2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile
CID 102574869
2-methylsulfanyl-1,3-benzothiazole-4-carbonitrile
CID 141046586

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile (CID 168749767) is 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile is CC#Cc1ccc(C#N)c(SC)n1.
What is the InChIKey of 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile?
The InChIKey is HBOKVSMZNHUIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-3-4-9-6-5-8(7-11)10(12-9)13-2/h5-6H,1-2H3.
What are the key properties of 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile?
2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile has a molecular weight of 188.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-prop-1-ynylpyridine-3-carbonitrile is sourced from PubChem (CID 168749767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).