5-chloro-2-fluoro-4-(triazol-2-yl)aniline

C8H6ClFN4 — CID 134610353

IUPAC5-chloro-2-fluoro-4-(triazol-2-yl)aniline
SMILESNc1cc(Cl)c(-n2nccn2)cc1F
InChIInChI=1S/C8H6ClFN4/c9-5-3-7(11)6(10)4-8(5)14-12-1-2-13-14/h1-4H,11H2
InChIKeyZMWMPFXADZPBEI-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.64
Rot. Bonds1

About 5-chloro-2-fluoro-4-(triazol-2-yl)aniline

5-chloro-2-fluoro-4-(triazol-2-yl)aniline (PubChem CID 134610353) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-(triazol-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-(triazol-2-yl)aniline
PubChem CID134610353
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name5-chloro-2-fluoro-4-(triazol-2-yl)aniline
SMILESNc1cc(Cl)c(-n2nccn2)cc1F
InChIInChI=1S/C8H6ClFN4/c9-5-3-7(11)6(10)4-8(5)14-12-1-2-13-14/h1-4H,11H2
InChIKeyZMWMPFXADZPBEI-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-(triazol-2-yl)aniline?
The IUPAC name of 5-chloro-2-fluoro-4-(triazol-2-yl)aniline (CID 134610353) is 5-chloro-2-fluoro-4-(triazol-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-4-(triazol-2-yl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-4-(triazol-2-yl)aniline is Nc1cc(Cl)c(-n2nccn2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-(triazol-2-yl)aniline?
The InChIKey is ZMWMPFXADZPBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-5-3-7(11)6(10)4-8(5)14-12-1-2-13-14/h1-4H,11H2.
What are the key properties of 5-chloro-2-fluoro-4-(triazol-2-yl)aniline?
5-chloro-2-fluoro-4-(triazol-2-yl)aniline has a molecular weight of 212.62 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-(triazol-2-yl)aniline is sourced from PubChem (CID 134610353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).