5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine

C13H10BrN5S — CID 115622292

IUPAC5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESBrc1ccc(CSc2nnnn2-c2ccccc2)nc1
InChIInChI=1S/C13H10BrN5S/c14-10-6-7-11(15-8-10)9-20-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyFGOVMJIIIOGJFV-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.11
Rot. Bonds4

About 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine

5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine (PubChem CID 115622292) has the molecular formula C13H10BrN5S and a molecular weight of 348.23 g/mol. Its IUPAC name is 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
PubChem CID115622292
Molecular FormulaC13H10BrN5S
Molecular Weight348.23 g/mol
Exact Mass346.98
IUPAC Name5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESBrc1ccc(CSc2nnnn2-c2ccccc2)nc1
InChIInChI=1S/C13H10BrN5S/c14-10-6-7-11(15-8-10)9-20-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyFGOVMJIIIOGJFV-UHFFFAOYSA-N
XLogP3.11
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 115622324
2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 113454341
5-bromo-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine
CID 47023498
4-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 91144824
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
methyl 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]acetate
CID 113454057
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
7-bromo-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one
CID 16539693
5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
CID 42069312

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The IUPAC name of 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine (CID 115622292) is 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine is Brc1ccc(CSc2nnnn2-c2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The InChIKey is FGOVMJIIIOGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5S/c14-10-6-7-11(15-8-10)9-20-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-8H,9H2.
What are the key properties of 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine has a molecular weight of 348.23 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 115622292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).