5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine

C8H8BrN5S — CID 114870827

IUPAC5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
SMILESCc1cc(Sc2nnnn2C)ncc1Br
InChIInChI=1S/C8H8BrN5S/c1-5-3-7(10-4-6(5)9)15-8-11-12-13-14(8)2/h3-4H,1-2H3
InChIKeyCILVXNATCIUBNN-UHFFFAOYSA-N
MW286.16 g/mol
LogP1.83
Rot. Bonds2

About 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine

5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine (PubChem CID 114870827) has the molecular formula C8H8BrN5S and a molecular weight of 286.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
PubChem CID114870827
Molecular FormulaC8H8BrN5S
Molecular Weight286.16 g/mol
Exact Mass284.97
IUPAC Name5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
SMILESCc1cc(Sc2nnnn2C)ncc1Br
InChIInChI=1S/C8H8BrN5S/c1-5-3-7(10-4-6(5)9)15-8-11-12-13-14(8)2/h3-4H,1-2H3
InChIKeyCILVXNATCIUBNN-UHFFFAOYSA-N
XLogP1.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine?
The IUPAC name of 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine (CID 114870827) is 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine?
The canonical SMILES for 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine is Cc1cc(Sc2nnnn2C)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine?
The InChIKey is CILVXNATCIUBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5S/c1-5-3-7(10-4-6(5)9)15-8-11-12-13-14(8)2/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine?
5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine has a molecular weight of 286.16 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine is sourced from PubChem (CID 114870827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).