3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine

C7H6BrN5S — CID 104778992

IUPAC3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
SMILESCn1nnnc1Sc1ccncc1Br
InChIInChI=1S/C7H6BrN5S/c1-13-7(10-11-12-13)14-6-2-3-9-4-5(6)8/h2-4H,1H3
InChIKeyXJNGEQCZPCWEET-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.52
Rot. Bonds2

About 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine

3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine (PubChem CID 104778992) has the molecular formula C7H6BrN5S and a molecular weight of 272.13 g/mol. Its IUPAC name is 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine.

Molecular Properties

Compound Name3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
PubChem CID104778992
Molecular FormulaC7H6BrN5S
Molecular Weight272.13 g/mol
Exact Mass270.95
IUPAC Name3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
SMILESCn1nnnc1Sc1ccncc1Br
InChIInChI=1S/C7H6BrN5S/c1-13-7(10-11-12-13)14-6-2-3-9-4-5(6)8/h2-4H,1H3
InChIKeyXJNGEQCZPCWEET-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

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Related Compounds

methyl 2-[5-[(3-bromo-4-pyridinyl)sulfanyl]tetrazol-1-yl]acetate
CID 104776625
(1S)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 55183177
1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 82971678
1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol
CID 82973772
5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 114870827
1-[4-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 82971679
2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 63963042
3-bromo-8-(1-methyltetrazol-5-yl)sulfanylquinolin-5-amine
CID 106949934
4-bromo-N'-hydroxy-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 137000762
2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde
CID 63802351
2-bromo-4-(1-methyltetrazol-5-yl)sulfanylbenzonitrile
CID 107279701
2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60789334

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine?
The IUPAC name of 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine (CID 104778992) is 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine.
What is the SMILES notation for 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine?
The canonical SMILES for 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine is Cn1nnnc1Sc1ccncc1Br.
What is the InChIKey of 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine?
The InChIKey is XJNGEQCZPCWEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5S/c1-13-7(10-11-12-13)14-6-2-3-9-4-5(6)8/h2-4H,1H3.
What are the key properties of 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine?
3-bromo-4-(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 3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine is sourced from PubChem (CID 104778992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).