1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole

C12H8BrClN4 — CID 113384535

IUPAC1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole
SMILESClCc1nnnn1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C12H8BrClN4/c13-10-5-6-11(9-4-2-1-3-8(9)10)18-12(7-14)15-16-17-18/h1-6H,7H2
InChIKeyUAXMKDRFLLWUSU-UHFFFAOYSA-N
MW323.58 g/mol
LogP3.32
Rot. Bonds2

About 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole

1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole (PubChem CID 113384535) has the molecular formula C12H8BrClN4 and a molecular weight of 323.58 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole
PubChem CID113384535
Molecular FormulaC12H8BrClN4
Molecular Weight323.58 g/mol
Exact Mass321.96
IUPAC Name1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole
SMILESClCc1nnnn1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C12H8BrClN4/c13-10-5-6-11(9-4-2-1-3-8(9)10)18-12(7-14)15-16-17-18/h1-6H,7H2
InChIKeyUAXMKDRFLLWUSU-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.58
LogP ≤ 53.32
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-(4-bromonaphthalen-1-yl)-5-(chloromethyl)triazole
CID 107450953
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1-(2-bromo-4-nitrophenyl)-5-(chloromethyl)tetrazole
CID 107810872
1-(2-benzylphenyl)-5-(chloromethyl)tetrazole
CID 43247254
1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole
CID 43134726
1-(3-bromo-4-fluorophenyl)-5-(chloromethyl)tetrazole
CID 104780089
5-chloro-2-[5-(chloromethyl)tetrazol-1-yl]benzoic acid
CID 11961946
1,4-dibromonaphthalene
CID 162208061
3-(1-naphthalen-1-yltetrazol-5-yl)propan-1-amine
CID 82228115
5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
CID 43134747
5-(chloromethyl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]tetrazole
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole (CID 113384535) is 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole is ClCc1nnnn1-c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole?
The InChIKey is UAXMKDRFLLWUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4/c13-10-5-6-11(9-4-2-1-3-8(9)10)18-12(7-14)15-16-17-18/h1-6H,7H2.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole?
1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole has a molecular weight of 323.58 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-5-(chloromethyl)tetrazole is sourced from PubChem (CID 113384535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).