2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine

C7H6BrN5S — CID 63963042

IUPAC2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine
SMILESCn1nnnc1Sc1cccc(Br)n1
InChIInChI=1S/C7H6BrN5S/c1-13-7(10-11-12-13)14-6-4-2-3-5(8)9-6/h2-4H,1H3
InChIKeyVCQRTDZJVHGGOI-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.52
Rot. Bonds2

About 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine

2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine (PubChem CID 63963042) has the molecular formula C7H6BrN5S and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine
PubChem CID63963042
Molecular FormulaC7H6BrN5S
Molecular Weight272.13 g/mol
Exact Mass270.95
IUPAC Name2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine
SMILESCn1nnnc1Sc1cccc(Br)n1
InChIInChI=1S/C7H6BrN5S/c1-13-7(10-11-12-13)14-6-4-2-3-5(8)9-6/h2-4H,1H3
InChIKeyVCQRTDZJVHGGOI-UHFFFAOYSA-N
XLogP1.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.52
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

6-(1-methyltetrazol-5-yl)sulfanylpyridin-2-amine
CID 80653445
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872
[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922093
5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 114870827
3-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60875770
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 164645832
2-bromo-6-methylsulfanylpyridine
CID 12560807
3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 104778992
[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine
CID 63885680
1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol
CID 82973772
2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60789334
5-(4-iodophenyl)sulfanyl-1-methyltetrazole
CID 130196299

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine?
The IUPAC name of 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine (CID 63963042) is 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine.
What is the SMILES notation for 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine?
The canonical SMILES for 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine is Cn1nnnc1Sc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine?
The InChIKey is VCQRTDZJVHGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5S/c1-13-7(10-11-12-13)14-6-4-2-3-5(8)9-6/h2-4H,1H3.
What are the key properties of 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine?
2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine has a molecular weight of 272.13 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine is sourced from PubChem (CID 63963042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).