2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine

C8H8ClN5S — CID 79037574

IUPAC2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESCn1nnnc1SCc1cccc(Cl)n1
InChIInChI=1S/C8H8ClN5S/c1-14-8(11-12-13-14)15-5-6-3-2-4-7(9)10-6/h2-4H,5H2,1H3
InChIKeyUTZAZLQLOGFVST-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.55
Rot. Bonds3

About 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine

2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine (PubChem CID 79037574) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
PubChem CID79037574
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESCn1nnnc1SCc1cccc(Cl)n1
InChIInChI=1S/C8H8ClN5S/c1-14-8(11-12-13-14)15-5-6-3-2-4-7(9)10-6/h2-4H,5H2,1H3
InChIKeyUTZAZLQLOGFVST-UHFFFAOYSA-N
XLogP1.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 104588089
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239053
7-chloro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199846
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 2345699
4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline
CID 43350210
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenanthridine
CID 23965795
2-[(6-chloro-2-pyridinyl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 79037541
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
2-chloro-7-methyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinoline
CID 8005328
3-[(6-chloro-2-pyridinyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 79037531
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine (CID 79037574) is 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine is Cn1nnnc1SCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine?
The InChIKey is UTZAZLQLOGFVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-14-8(11-12-13-14)15-5-6-3-2-4-7(9)10-6/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine?
2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine has a molecular weight of 241.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 79037574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).