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

C7H5BrClN5 — CID 155271214

IUPAC2-bromo-4-chloro-5-(tetrazol-1-yl)aniline
SMILESNc1cc(-n2cnnn2)c(Cl)cc1Br
InChIInChI=1S/C7H5BrClN5/c8-4-1-5(9)7(2-6(4)10)14-3-11-12-13-14/h1-3H,10H2
InChIKeyLRTDUPLWTHRXKM-UHFFFAOYSA-N
MW274.51 g/mol
LogP1.66
Rot. Bonds1

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

2-bromo-4-chloro-5-(tetrazol-1-yl)aniline (PubChem CID 155271214) has the molecular formula C7H5BrClN5 and a molecular weight of 274.51 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-5-(tetrazol-1-yl)aniline
PubChem CID155271214
Molecular FormulaC7H5BrClN5
Molecular Weight274.51 g/mol
Exact Mass272.94
IUPAC Name2-bromo-4-chloro-5-(tetrazol-1-yl)aniline
SMILESNc1cc(-n2cnnn2)c(Cl)cc1Br
InChIInChI=1S/C7H5BrClN5/c8-4-1-5(9)7(2-6(4)10)14-3-11-12-13-14/h1-3H,10H2
InChIKeyLRTDUPLWTHRXKM-UHFFFAOYSA-N
XLogP1.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline (CID 155271214) is 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline is Nc1cc(-n2cnnn2)c(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline?
The InChIKey is LRTDUPLWTHRXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN5/c8-4-1-5(9)7(2-6(4)10)14-3-11-12-13-14/h1-3H,10H2.
What are the key properties of 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline?
2-bromo-4-chloro-5-(tetrazol-1-yl)aniline has a molecular weight of 274.51 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 155271214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).