1-(4-chloro-2-iodophenyl)tetrazole

C7H4ClIN4 — CID 66698384

IUPAC1-(4-chloro-2-iodophenyl)tetrazole
SMILESClc1ccc(-n2cnnn2)c(I)c1
InChIInChI=1S/C7H4ClIN4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H
InChIKeyVKZKORPAINUQAT-UHFFFAOYSA-N
MW306.49 g/mol
LogP1.92
Rot. Bonds1

About 1-(4-chloro-2-iodophenyl)tetrazole

1-(4-chloro-2-iodophenyl)tetrazole (PubChem CID 66698384) has the molecular formula C7H4ClIN4 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)tetrazole.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)tetrazole
PubChem CID66698384
Molecular FormulaC7H4ClIN4
Molecular Weight306.49 g/mol
Exact Mass305.92
IUPAC Name1-(4-chloro-2-iodophenyl)tetrazole
SMILESClc1ccc(-n2cnnn2)c(I)c1
InChIInChI=1S/C7H4ClIN4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H
InChIKeyVKZKORPAINUQAT-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-1H-tetrazole
CID 138477
1-(4-chlorophenyl)-1H-tetrazole
CID 270006
1-[4-Chlorophenyl]-N,N-dimethyl-1H-tetrazol-5-amine
CID 539378
N-[1-(2,4-dichlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-N,N-dimethylamine
CID 1475255
1H-Tetrazole, 1-(4-chlorophenyl)-5-methyl-
CID 581477
1-(4-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 825628
1-[4-Chloro-3-(trifluoromethyl)phenyl]tetrazole
CID 125728453
1-(4-chlorophenyl)-5-(methylthio)-1H-tetrazole
CID 1243254
1-(2,4-Difluoro-phenyl)-1H-tetrazole
CID 655495
1-(3-Chlorophenyl)-1h-tetrazol-5-amine
CID 285134
5-Amino-O-chlorophenyl tetrazole
CID 323184
2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16776053

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)tetrazole?
The IUPAC name of 1-(4-chloro-2-iodophenyl)tetrazole (CID 66698384) is 1-(4-chloro-2-iodophenyl)tetrazole.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)tetrazole?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)tetrazole is Clc1ccc(-n2cnnn2)c(I)c1.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)tetrazole?
The InChIKey is VKZKORPAINUQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H.
What are the key properties of 1-(4-chloro-2-iodophenyl)tetrazole?
1-(4-chloro-2-iodophenyl)tetrazole has a molecular weight of 306.49 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)tetrazole is sourced from PubChem (CID 66698384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).