5-bromo-1-[(3-chlorophenyl)methyl]tetrazole

C8H6BrClN4 — CID 82093565

IUPAC5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
SMILESClc1cccc(Cn2nnnc2Br)c1
InChIInChI=1S/C8H6BrClN4/c9-8-11-12-13-14(8)5-6-2-1-3-7(10)4-6/h1-4H,5H2
InChIKeyJYZXOOMPQSSTOR-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.14
Rot. Bonds2

About 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole

5-bromo-1-[(3-chlorophenyl)methyl]tetrazole (PubChem CID 82093565) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
PubChem CID82093565
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
SMILESClc1cccc(Cn2nnnc2Br)c1
InChIInChI=1S/C8H6BrClN4/c9-8-11-12-13-14(8)5-6-2-1-3-7(10)4-6/h1-4H,5H2
InChIKeyJYZXOOMPQSSTOR-UHFFFAOYSA-N
XLogP2.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 62531409
N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735968
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
1-benzyl-5-chlorotetrazole
CID 46835417
[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057874
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684
3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759511
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
3-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410113
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole?
The IUPAC name of 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole (CID 82093565) is 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole?
The canonical SMILES for 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole is Clc1cccc(Cn2nnnc2Br)c1.
What is the InChIKey of 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole?
The InChIKey is JYZXOOMPQSSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c9-8-11-12-13-14(8)5-6-2-1-3-7(10)4-6/h1-4H,5H2.
What are the key properties of 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole?
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole has a molecular weight of 273.52 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-chlorophenyl)methyl]tetrazole is sourced from PubChem (CID 82093565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).