5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole

C11H9Cl3N4 — CID 18171624

IUPAC5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole
SMILESClc1cccc(-c2nnn(CC3CC3(Cl)Cl)n2)c1
InChIInChI=1S/C11H9Cl3N4/c12-9-3-1-2-7(4-9)10-15-17-18(16-10)6-8-5-11(8,13)14/h1-4,8H,5-6H2
InChIKeyMHQVRDVIURXYDD-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.19
Rot. Bonds3

About 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole

5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole (PubChem CID 18171624) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole
PubChem CID18171624
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole
SMILESClc1cccc(-c2nnn(CC3CC3(Cl)Cl)n2)c1
InChIInChI=1S/C11H9Cl3N4/c12-9-3-1-2-7(4-9)10-15-17-18(16-10)6-8-5-11(8,13)14/h1-4,8H,5-6H2
InChIKeyMHQVRDVIURXYDD-UHFFFAOYSA-N
XLogP3.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.19
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

5-(4-Chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
CID 2730635
5-(3-chlorophenyl)-2H-1,2,3,4-tetrazole
CID 592520
2-(2-chloro-4-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 588845
2-(2-chlorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 685751
2-(4-Chloro-benzyl)-5-phenyl-2H-tetrazole
CID 763900
2-[(2-Chlorophenyl)methyl]-5-phenyltetrazole
CID 856079
3-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]propanenitrile
CID 8107163
2-(2-Chloro-benzyl)-5-(2-fluoro-phenyl)-2H-tetrazole
CID 580823
5-(2-chlorophenyl)-2-(4-fluorobenzyl)-2H-tetrazole
CID 723251
Cambridge id 6259090
CID 830999
5-(4-Chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497155
5-(3-Chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497161

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole (CID 18171624) is 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole is Clc1cccc(-c2nnn(CC3CC3(Cl)Cl)n2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole?
The InChIKey is MHQVRDVIURXYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c12-9-3-1-2-7(4-9)10-15-17-18(16-10)6-8-5-11(8,13)14/h1-4,8H,5-6H2.
What are the key properties of 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole?
5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole has a molecular weight of 303.58 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole is sourced from PubChem (CID 18171624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).