2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

C9H9ClN4S — CID 104588089

IUPAC2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESCn1ncnc1SCc1cccc(Cl)n1
InChIInChI=1S/C9H9ClN4S/c1-14-9(11-6-12-14)15-5-7-3-2-4-8(10)13-7/h2-4,6H,5H2,1H3
InChIKeyHAFRTMLLTDTHIE-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (PubChem CID 104588089) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
PubChem CID104588089
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESCn1ncnc1SCc1cccc(Cl)n1
InChIInChI=1S/C9H9ClN4S/c1-14-9(11-6-12-14)15-5-7-3-2-4-8(10)13-7/h2-4,6H,5H2,1H3
InChIKeyHAFRTMLLTDTHIE-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine 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

2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 79037574
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
CID 104604017
2-chloro-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 104602715
4-[(6-chloro-2-pyridinyl)methylsulfanyl]pyrimidine
CID 79242794
N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060394
2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 86790568
5-(2,2-difluoroethylsulfanyl)-1-methyl-1,2,4-triazole
CID 131176601
2-[(6-chloro-2-pyridinyl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 79037541
2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
CID 79040235
1-[(6-chloro-2-pyridinyl)methylsulfanyl]propan-2-amine
CID 79240487
1-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 104602645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (CID 104588089) is 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is Cn1ncnc1SCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The InChIKey is HAFRTMLLTDTHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-14-9(11-6-12-14)15-5-7-3-2-4-8(10)13-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine has a molecular weight of 240.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 104588089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).