2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline

C13H8Cl3N5 — CID 115936156

IUPAC2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H8Cl3N5/c14-9-5-4-7(6-10(9)15)21-13(18-19-20-21)8-2-1-3-11(17)12(8)16/h1-6H,17H2
InChIKeyWQTAULUGYFGRNF-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.87
Rot. Bonds2

About 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline

2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline (PubChem CID 115936156) has the molecular formula C13H8Cl3N5 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
PubChem CID115936156
Molecular FormulaC13H8Cl3N5
Molecular Weight340.60 g/mol
Exact Mass338.98
IUPAC Name2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H8Cl3N5/c14-9-5-4-7(6-10(9)15)21-13(18-19-20-21)8-2-1-3-11(17)12(8)16/h1-6H,17H2
InChIKeyWQTAULUGYFGRNF-UHFFFAOYSA-N
XLogP3.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
CID 829537
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107616314
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966
2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 112580511
2-chloro-6-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 115547943
2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
CID 115936164
2-chloro-3-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 115936179
2-[1-(2,4,5-trichlorophenyl)tetrazol-5-yl]aniline
CID 61351820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline (CID 115936156) is 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline is Nc1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline?
The InChIKey is WQTAULUGYFGRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N5/c14-9-5-4-7(6-10(9)15)21-13(18-19-20-21)8-2-1-3-11(17)12(8)16/h1-6H,17H2.
What are the key properties of 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline?
2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline has a molecular weight of 340.60 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115936156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).