2-chloro-6-(4-chloropyrazol-1-yl)aniline

C9H7Cl2N3 — CID 84691684

IUPAC2-chloro-6-(4-chloropyrazol-1-yl)aniline
SMILESNc1c(Cl)cccc1-n1cc(Cl)cn1
InChIInChI=1S/C9H7Cl2N3/c10-6-4-13-14(5-6)8-3-1-2-7(11)9(8)12/h1-5H,12H2
InChIKeyVZEATAGBMYNQEU-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.76
Rot. Bonds1

About 2-chloro-6-(4-chloropyrazol-1-yl)aniline

2-chloro-6-(4-chloropyrazol-1-yl)aniline (PubChem CID 84691684) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 2-chloro-6-(4-chloropyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(4-chloropyrazol-1-yl)aniline
PubChem CID84691684
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name2-chloro-6-(4-chloropyrazol-1-yl)aniline
SMILESNc1c(Cl)cccc1-n1cc(Cl)cn1
InChIInChI=1S/C9H7Cl2N3/c10-6-4-13-14(5-6)8-3-1-2-7(11)9(8)12/h1-5H,12H2
InChIKeyVZEATAGBMYNQEU-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-6-(4-chloropyrazol-1-yl)aniline?
The IUPAC name of 2-chloro-6-(4-chloropyrazol-1-yl)aniline (CID 84691684) is 2-chloro-6-(4-chloropyrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-6-(4-chloropyrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-6-(4-chloropyrazol-1-yl)aniline is Nc1c(Cl)cccc1-n1cc(Cl)cn1.
What is the InChIKey of 2-chloro-6-(4-chloropyrazol-1-yl)aniline?
The InChIKey is VZEATAGBMYNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-6-4-13-14(5-6)8-3-1-2-7(11)9(8)12/h1-5H,12H2.
What are the key properties of 2-chloro-6-(4-chloropyrazol-1-yl)aniline?
2-chloro-6-(4-chloropyrazol-1-yl)aniline has a molecular weight of 228.08 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-chloropyrazol-1-yl)aniline is sourced from PubChem (CID 84691684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).