5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole

C8H2Br3Cl3N4 — CID 57289897

IUPAC5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole
SMILESClc1cc(Cl)c(-n2nnnc2C(Br)(Br)Br)c(Cl)c1
InChIInChI=1S/C8H2Br3Cl3N4/c9-8(10,11)7-15-16-17-18(7)6-4(13)1-3(12)2-5(6)14/h1-2H
InChIKeyHMABGWZJFWDUQE-UHFFFAOYSA-N
MW500.20 g/mol
LogP4.92
Rot. Bonds1

About 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole

5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole (PubChem CID 57289897) has the molecular formula C8H2Br3Cl3N4 and a molecular weight of 500.20 g/mol. Its IUPAC name is 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole.

Molecular Properties

Compound Name5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole
PubChem CID57289897
Molecular FormulaC8H2Br3Cl3N4
Molecular Weight500.20 g/mol
Exact Mass495.69
IUPAC Name5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole
SMILESClc1cc(Cl)c(-n2nnnc2C(Br)(Br)Br)c(Cl)c1
InChIInChI=1S/C8H2Br3Cl3N4/c9-8(10,11)7-15-16-17-18(7)6-4(13)1-3(12)2-5(6)14/h1-2H
InChIKeyHMABGWZJFWDUQE-UHFFFAOYSA-N
XLogP4.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.20
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole
CID 107613009
2-[1-(2,4,6-trichlorophenyl)tetrazol-5-yl]aniline
CID 61352823
2-methyl-N-[[1-(2,4,6-trichlorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737943
1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole
CID 5340220
1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine
CID 83083270
3-chloro-2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499273
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086766
4-(5-tert-butyltetrazol-1-yl)-2-chlorobenzoic acid
CID 62075853
3-chloro-2-[1-(2,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 63662729
1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
4-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 4312416
3-tert-butyl-5-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)pyrazole
CID 26366731

Frequently Asked Questions

What is the IUPAC name of 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole?
The IUPAC name of 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole (CID 57289897) is 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole.
What is the SMILES notation for 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole?
The canonical SMILES for 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole is Clc1cc(Cl)c(-n2nnnc2C(Br)(Br)Br)c(Cl)c1.
What is the InChIKey of 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole?
The InChIKey is HMABGWZJFWDUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Br3Cl3N4/c9-8(10,11)7-15-16-17-18(7)6-4(13)1-3(12)2-5(6)14/h1-2H.
What are the key properties of 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole?
5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole has a molecular weight of 500.20 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole is sourced from PubChem (CID 57289897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).