3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine

C8H6BrClN4S — CID 114837975

IUPAC3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCc1nc(Sc2ncc(Cl)cc2Br)n[nH]1
InChIInChI=1S/C8H6BrClN4S/c1-4-12-8(14-13-4)15-7-6(9)2-5(10)3-11-7/h2-3H,1H3,(H,12,13,14)
InChIKeyVNSSDZUXFGTUQE-UHFFFAOYSA-N
MW305.59 g/mol
LogP3.08
Rot. Bonds2

About 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine

3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine (PubChem CID 114837975) has the molecular formula C8H6BrClN4S and a molecular weight of 305.59 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
PubChem CID114837975
Molecular FormulaC8H6BrClN4S
Molecular Weight305.59 g/mol
Exact Mass303.92
IUPAC Name3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCc1nc(Sc2ncc(Cl)cc2Br)n[nH]1
InChIInChI=1S/C8H6BrClN4S/c1-4-12-8(14-13-4)15-7-6(9)2-5(10)3-11-7/h2-3H,1H3,(H,12,13,14)
InChIKeyVNSSDZUXFGTUQE-UHFFFAOYSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]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

3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 105368449
5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 103583844
5-bromo-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 62000235
3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine
CID 114837889
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 80923061
3-bromo-5-chloro-2-(2,5-dimethylphenyl)sulfanylpyridine
CID 114837931
5-bromo-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyrimidin-6-one
CID 114791134
2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136995221
5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide
CID 61359981
4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
CID 80978202
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine-3-carboxylic acid
CID 114046882
6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine
CID 79947218

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The IUPAC name of 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine (CID 114837975) is 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine is Cc1nc(Sc2ncc(Cl)cc2Br)n[nH]1.
What is the InChIKey of 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The InChIKey is VNSSDZUXFGTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4S/c1-4-12-8(14-13-4)15-7-6(9)2-5(10)3-11-7/h2-3H,1H3,(H,12,13,14).
What are the key properties of 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine has a molecular weight of 305.59 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine is sourced from PubChem (CID 114837975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).