2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline

C13H8Cl2FN5 — CID 61376963

IUPAC2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2-c2ccccc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FN5/c14-8-5-7(6-10(17)12(8)15)13-18-19-20-21(13)11-4-2-1-3-9(11)16/h1-6H,17H2
InChIKeyZCVBWVILDMLDJT-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.36
Rot. Bonds2

About 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline

2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline (PubChem CID 61376963) has the molecular formula C13H8Cl2FN5 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline
PubChem CID61376963
Molecular FormulaC13H8Cl2FN5
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2-c2ccccc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FN5/c14-8-5-7(6-10(17)12(8)15)13-18-19-20-21(13)11-4-2-1-3-9(11)16/h1-6H,17H2
InChIKeyZCVBWVILDMLDJT-UHFFFAOYSA-N
XLogP3.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline (CID 61376963) is 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline is Nc1cc(-c2nnnn2-c2ccccc2F)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline?
The InChIKey is ZCVBWVILDMLDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN5/c14-8-5-7(6-10(17)12(8)15)13-18-19-20-21(13)11-4-2-1-3-9(11)16/h1-6H,17H2.
What are the key properties of 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline?
2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline has a molecular weight of 324.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-[1-(2-fluorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61376963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).