2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline

C14H11BrClN5 — CID 81256096

IUPAC2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1cccc(N)c1-c1nnnn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H11BrClN5/c1-8-3-2-4-11(17)13(8)14-18-19-20-21(14)12-7-9(16)5-6-10(12)15/h2-7H,17H2,1H3
InChIKeyUPMIMOFZUGNAKI-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.64
Rot. Bonds2

About 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline

2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline (PubChem CID 81256096) has the molecular formula C14H11BrClN5 and a molecular weight of 364.63 g/mol. Its IUPAC name is 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline.

Molecular Properties

Compound Name2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline
PubChem CID81256096
Molecular FormulaC14H11BrClN5
Molecular Weight364.63 g/mol
Exact Mass362.99
IUPAC Name2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1cccc(N)c1-c1nnnn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H11BrClN5/c1-8-3-2-4-11(17)13(8)14-18-19-20-21(14)12-7-9(16)5-6-10(12)15/h2-7H,17H2,1H3
InChIKeyUPMIMOFZUGNAKI-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

3-[1-(5-Chloro-2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61351695
3-[1-(2-Chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61352643
2-[1-(5-Chloro-2-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61352677
2-Bromo-5-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61352681
3-[1-(5-Chloro-2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61352684
2-[1-(2-Chloro-4-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61352841
2-Bromo-5-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353041
3-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 61353479
2-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]-5-chloroaniline
CID 61353480
4-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]-3-chloroaniline
CID 61353481
5-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]-2-chloroaniline
CID 61353662
2-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 61353664

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline?
The IUPAC name of 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline (CID 81256096) is 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline.
What is the SMILES notation for 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline?
The canonical SMILES for 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline is Cc1cccc(N)c1-c1nnnn1-c1cc(Cl)ccc1Br.
What is the InChIKey of 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline?
The InChIKey is UPMIMOFZUGNAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN5/c1-8-3-2-4-11(17)13(8)14-18-19-20-21(14)12-7-9(16)5-6-10(12)15/h2-7H,17H2,1H3.
What are the key properties of 2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline?
2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline 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-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline is sourced from PubChem (CID 81256096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).