2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline

C14H11BrClN5 — CID 61353068

IUPAC2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(Cl)ccc1-n1nnnc1-c1ccc(Br)c(N)c1
InChIInChI=1S/C14H11BrClN5/c1-8-6-10(16)3-5-13(8)21-14(18-19-20-21)9-2-4-11(15)12(17)7-9/h2-7H,17H2,1H3
InChIKeyISCYJUKBHRTECI-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.64
Rot. Bonds2

About 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline

2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61353068) has the molecular formula C14H11BrClN5 and a molecular weight of 364.63 g/mol. Its IUPAC name is 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61353068
Molecular FormulaC14H11BrClN5
Molecular Weight364.63 g/mol
Exact Mass362.99
IUPAC Name2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(Cl)ccc1-n1nnnc1-c1ccc(Br)c(N)c1
InChIInChI=1S/C14H11BrClN5/c1-8-6-10(16)3-5-13(8)21-14(18-19-20-21)9-2-4-11(15)12(17)7-9/h2-7H,17H2,1H3
InChIKeyISCYJUKBHRTECI-UHFFFAOYSA-N
XLogP3.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 53.64
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-bromo-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376028
2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline
CID 61353674
2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378530
2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378528
2-bromo-5-[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107638824
4-[1-(2,5-dibromophenyl)tetrazol-5-yl]-2-methylaniline
CID 61469848
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 81256096
4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61352885
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
2-chloro-4-[1-(2,4-dibromophenyl)tetrazol-5-yl]aniline
CID 82780083
4-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 107593850

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline (CID 61353068) is 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline is Cc1cc(Cl)ccc1-n1nnnc1-c1ccc(Br)c(N)c1.
What is the InChIKey of 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is ISCYJUKBHRTECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN5/c1-8-6-10(16)3-5-13(8)21-14(18-19-20-21)9-2-4-11(15)12(17)7-9/h2-7H,17H2,1H3.
What are the key properties of 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 364.63 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).