1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole

C8H5BrCl2N4 — CID 103480758

IUPAC1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole
SMILESClCc1nnnn1-c1cccc(Cl)c1Br
InChIInChI=1S/C8H5BrCl2N4/c9-8-5(11)2-1-3-6(8)15-7(4-10)12-13-14-15/h1-3H,4H2
InChIKeyKSSIVJQSZJHCPD-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.82
Rot. Bonds2

About 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole

1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole (PubChem CID 103480758) has the molecular formula C8H5BrCl2N4 and a molecular weight of 307.97 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole
PubChem CID103480758
Molecular FormulaC8H5BrCl2N4
Molecular Weight307.97 g/mol
Exact Mass305.91
IUPAC Name1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole
SMILESClCc1nnnn1-c1cccc(Cl)c1Br
InChIInChI=1S/C8H5BrCl2N4/c9-8-5(11)2-1-3-6(8)15-7(4-10)12-13-14-15/h1-3H,4H2
InChIKeyKSSIVJQSZJHCPD-UHFFFAOYSA-N
XLogP2.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.82
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-3-chlorophenyl)tetrazol-5-amine
CID 103481821
1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole
CID 113384535
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 62735905
1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole
CID 43134726
1-(2-benzylphenyl)-5-(chloromethyl)tetrazole
CID 43247254
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
4-[1-(2-bromo-3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 103481274
1-(2-bromo-3-chlorophenyl)tetrazole
CID 103480298
1-(2-bromo-4-nitrophenyl)-5-(chloromethyl)tetrazole
CID 107810872
5-chloro-2-[5-(chloromethyl)tetrazol-1-yl]benzoic acid
CID 11961946
1-(3-bromo-4-fluorophenyl)-5-(chloromethyl)tetrazole
CID 104780089
5-bromo-3-(chloromethyl)-1-(2-chlorophenyl)-1,2,4-triazole
CID 142563976

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole (CID 103480758) is 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole is ClCc1nnnn1-c1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole?
The InChIKey is KSSIVJQSZJHCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2N4/c9-8-5(11)2-1-3-6(8)15-7(4-10)12-13-14-15/h1-3H,4H2.
What are the key properties of 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole?
1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole has a molecular weight of 307.97 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole is sourced from PubChem (CID 103480758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).