3-(trichloromethyl)pyridazine

C5H3Cl3N2 — CID 18471457

IUPAC3-(trichloromethyl)pyridazine
SMILESClC(Cl)(Cl)c1cccnn1
InChIInChI=1S/C5H3Cl3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-3H
InChIKeyRCZFXRMIHOUWJD-UHFFFAOYSA-N
MW197.45 g/mol
LogP2.30
Rot. Bonds

About 3-(trichloromethyl)pyridazine

3-(trichloromethyl)pyridazine (PubChem CID 18471457) has the molecular formula C5H3Cl3N2 and a molecular weight of 197.45 g/mol. Its IUPAC name is 3-(trichloromethyl)pyridazine.

Molecular Properties

Compound Name3-(trichloromethyl)pyridazine
PubChem CID18471457
Molecular FormulaC5H3Cl3N2
Molecular Weight197.45 g/mol
Exact Mass195.94
IUPAC Name3-(trichloromethyl)pyridazine
SMILESClC(Cl)(Cl)c1cccnn1
InChIInChI=1S/C5H3Cl3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-3H
InChIKeyRCZFXRMIHOUWJD-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trichloromethyl)pyridazine?
The IUPAC name of 3-(trichloromethyl)pyridazine (CID 18471457) is 3-(trichloromethyl)pyridazine.
What is the SMILES notation for 3-(trichloromethyl)pyridazine?
The canonical SMILES for 3-(trichloromethyl)pyridazine is ClC(Cl)(Cl)c1cccnn1.
What is the InChIKey of 3-(trichloromethyl)pyridazine?
The InChIKey is RCZFXRMIHOUWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-3H.
What are the key properties of 3-(trichloromethyl)pyridazine?
3-(trichloromethyl)pyridazine has a molecular weight of 197.45 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trichloromethyl)pyridazine is sourced from PubChem (CID 18471457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).