2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine

C8H6ClF3N4 — CID 139777814

IUPAC2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine
SMILESFC(F)(F)c1ccn(C2=CC=CN(Cl)N2)n1
InChIInChI=1S/C8H6ClF3N4/c9-16-4-1-2-7(14-16)15-5-3-6(13-15)8(10,11)12/h1-5,14H
InChIKeyMAZHKRSIWGPGCT-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine

2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine (PubChem CID 139777814) has the molecular formula C8H6ClF3N4 and a molecular weight of 250.61 g/mol. Its IUPAC name is 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine.

Molecular Properties

Compound Name2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine
PubChem CID139777814
Molecular FormulaC8H6ClF3N4
Molecular Weight250.61 g/mol
Exact Mass250.02
IUPAC Name2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine
SMILESFC(F)(F)c1ccn(C2=CC=CN(Cl)N2)n1
InChIInChI=1S/C8H6ClF3N4/c9-16-4-1-2-7(14-16)15-5-3-6(13-15)8(10,11)12/h1-5,14H
InChIKeyMAZHKRSIWGPGCT-UHFFFAOYSA-N
XLogP2.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine?
The IUPAC name of 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine (CID 139777814) is 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine.
What is the SMILES notation for 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine?
The canonical SMILES for 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine is FC(F)(F)c1ccn(C2=CC=CN(Cl)N2)n1.
What is the InChIKey of 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine?
The InChIKey is MAZHKRSIWGPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4/c9-16-4-1-2-7(14-16)15-5-3-6(13-15)8(10,11)12/h1-5,14H.
What are the key properties of 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine?
2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine has a molecular weight of 250.61 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazine is sourced from PubChem (CID 139777814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).