2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline

C13H8ClF2N5 — CID 115936164

IUPAC2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2-c2cc(F)ccc2F)c1Cl
InChIInChI=1S/C13H8ClF2N5/c14-12-8(2-1-3-10(12)17)13-18-19-20-21(13)11-6-7(15)4-5-9(11)16/h1-6H,17H2
InChIKeyXIIMKPBKGHSVMO-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.84
Rot. Bonds2

About 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline

2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline (PubChem CID 115936164) has the molecular formula C13H8ClF2N5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
PubChem CID115936164
Molecular FormulaC13H8ClF2N5
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2-c2cc(F)ccc2F)c1Cl
InChIInChI=1S/C13H8ClF2N5/c14-12-8(2-1-3-10(12)17)13-18-19-20-21(13)11-6-7(15)4-5-9(11)16/h1-6H,17H2
InChIKeyXIIMKPBKGHSVMO-UHFFFAOYSA-N
XLogP2.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-3-[1-(2,5-difluorophenyl)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

Related Compounds

2-chloro-3-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 115936179
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61353022
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
3-[1-(2,5-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61353651
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156
4-chloro-2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352440
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807107
2-[1-(2,3-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61376050
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61352841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline (CID 115936164) is 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline is Nc1cccc(-c2nnnn2-c2cc(F)ccc2F)c1Cl.
What is the InChIKey of 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline?
The InChIKey is XIIMKPBKGHSVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N5/c14-12-8(2-1-3-10(12)17)13-18-19-20-21(13)11-6-7(15)4-5-9(11)16/h1-6H,17H2.
What are the key properties of 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline?
2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline has a molecular weight of 307.69 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115936164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).