5-(3,4-dichlorophenyl)-2H-tetrazole

C7H4Cl2N4 — CID 2808662

IUPAC5-(3,4-dichlorophenyl)-2H-tetrazole
SMILESClc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C7H4Cl2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeySPKVZXBNWCKHGR-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.17
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-2H-tetrazole

5-(3,4-dichlorophenyl)-2H-tetrazole (PubChem CID 2808662) has the molecular formula C7H4Cl2N4 and a molecular weight of 215.04 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2H-tetrazole
PubChem CID2808662
Molecular FormulaC7H4Cl2N4
Molecular Weight215.04 g/mol
Exact Mass213.98
IUPAC Name5-(3,4-dichlorophenyl)-2H-tetrazole
SMILESClc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C7H4Cl2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeySPKVZXBNWCKHGR-UHFFFAOYSA-N
XLogP2.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-2H-1,2,3,4-tetrazole
CID 560735
5-(4-Chlorophenyl)-1H-tetrazole
CID 257758
5-(3-chlorophenyl)-2H-1,2,3,4-tetrazole
CID 592520
5-(4-chlorobenzyl)-1H-tetrazole
CID 723585
5-(3-Chloro-4-methylphenyl)-2H-tetrazole
CID 2730458
5-(3-chlorobenzyl)-2H-tetrazole
CID 1419115
5-(2,4-dichlorophenyl)-1H-1,2,3,4-tetrazole
CID 3610228
5-(3,5-Dichlorophenyl)-2H-tetrazole
CID 7010312
5-(2,6-Dichlorophenyl)-1H-tetrazole
CID 2808663
5-(2,3-Dichlorophenyl)-1H-tetrazole
CID 4690559
5-(2-chloro-6-fluorophenyl)-2H-tetrazole
CID 2367317
5-(2,5-Dichlorophenyl)-1H-tetrazole
CID 7010310

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2H-tetrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-2H-tetrazole (CID 2808662) is 5-(3,4-dichlorophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2H-tetrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2H-tetrazole is Clc1ccc(-c2nn[nH]n2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2H-tetrazole?
The InChIKey is SPKVZXBNWCKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13).
What are the key properties of 5-(3,4-dichlorophenyl)-2H-tetrazole?
5-(3,4-dichlorophenyl)-2H-tetrazole has a molecular weight of 215.04 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-2H-tetrazole is sourced from PubChem (CID 2808662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).