3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline

C13H8BrClFN5 — CID 107616322

IUPAC3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline
SMILESNc1cc(F)cc(-c2nnnn2-c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H8BrClFN5/c14-11-2-1-10(6-12(11)15)21-13(18-19-20-21)7-3-8(16)5-9(17)4-7/h1-6H,17H2
InChIKeyMNFUCCXBECXNMH-UHFFFAOYSA-N
MW368.60 g/mol
LogP3.47
Rot. Bonds2

About 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline

3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline (PubChem CID 107616322) has the molecular formula C13H8BrClFN5 and a molecular weight of 368.60 g/mol. Its IUPAC name is 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline
PubChem CID107616322
Molecular FormulaC13H8BrClFN5
Molecular Weight368.60 g/mol
Exact Mass366.96
IUPAC Name3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline
SMILESNc1cc(F)cc(-c2nnnn2-c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H8BrClFN5/c14-11-2-1-10(6-12(11)15)21-13(18-19-20-21)7-3-8(16)5-9(17)4-7/h1-6H,17H2
InChIKeyMNFUCCXBECXNMH-UHFFFAOYSA-N
XLogP3.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-chloroaniline
CID 107616336
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 107616316
1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole
CID 107613014
4-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-3-chloroaniline
CID 107616302
3-[1-(3-bromo-4-fluorophenyl)tetrazol-5-yl]-5-methylaniline
CID 104781330
3-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]-5-fluoroaniline
CID 107603049
2-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 107616313
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107616314
4-bromo-3-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370345
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 65436622
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
4-[1-(4-bromo-3-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62683011

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline?
The IUPAC name of 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline (CID 107616322) is 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline.
What is the SMILES notation for 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline?
The canonical SMILES for 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline is Nc1cc(F)cc(-c2nnnn2-c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline?
The InChIKey is MNFUCCXBECXNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN5/c14-11-2-1-10(6-12(11)15)21-13(18-19-20-21)7-3-8(16)5-9(17)4-7/h1-6H,17H2.
What are the key properties of 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline?
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline has a molecular weight of 368.60 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline is sourced from PubChem (CID 107616322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).