2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline

C13H9Cl2N5 — CID 115936191

IUPAC2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2-c2ccccc2Cl)c1Cl
InChIInChI=1S/C13H9Cl2N5/c14-9-5-1-2-7-11(9)20-13(17-18-19-20)8-4-3-6-10(16)12(8)15/h1-7H,16H2
InChIKeyGHRDFGMGUQGTLN-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.22
Rot. Bonds2

About 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline

2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline (PubChem CID 115936191) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
PubChem CID115936191
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2-c2ccccc2Cl)c1Cl
InChIInChI=1S/C13H9Cl2N5/c14-9-5-1-2-7-11(9)20-13(17-18-19-20)8-4-3-6-10(16)12(8)15/h1-7H,16H2
InChIKeyGHRDFGMGUQGTLN-UHFFFAOYSA-N
XLogP3.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.22
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-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156
2-[1-(2-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65455841
2-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807107
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-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
2-[1-(2,4,5-trichlorophenyl)tetrazol-5-yl]aniline
CID 61351820
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline
CID 61353220
2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65453950
2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 112580511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline (CID 115936191) is 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline is Nc1cccc(-c2nnnn2-c2ccccc2Cl)c1Cl.
What is the InChIKey of 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline?
The InChIKey is GHRDFGMGUQGTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-9-5-1-2-7-11(9)20-13(17-18-19-20)8-4-3-6-10(16)12(8)15/h1-7H,16H2.
What are the key properties of 2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline?
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline has a molecular weight of 306.16 g/mol, XLogP of 3.22, 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-(2-chlorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115936191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).