5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine

C9H9BrN4S — CID 25270499

IUPAC5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nnc(-c2ccc(Br)cn2)n1C
InChIInChI=1S/C9H9BrN4S/c1-14-8(12-13-9(14)15-2)7-4-3-6(10)5-11-7/h3-5H,1-2H3
InChIKeyBBCLNDPFBWKOGL-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.36
Rot. Bonds2

About 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine

5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 25270499) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
PubChem CID25270499
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nnc(-c2ccc(Br)cn2)n1C
InChIInChI=1S/C9H9BrN4S/c1-14-8(12-13-9(14)15-2)7-4-3-6(10)5-11-7/h3-5H,1-2H3
InChIKeyBBCLNDPFBWKOGL-UHFFFAOYSA-N
XLogP2.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine (CID 25270499) is 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine is CSc1nnc(-c2ccc(Br)cn2)n1C.
What is the InChIKey of 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is BBCLNDPFBWKOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-14-8(12-13-9(14)15-2)7-4-3-6(10)5-11-7/h3-5H,1-2H3.
What are the key properties of 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 285.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 25270499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).