6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine

C9H8ClF3N2O — CID 164537326

IUPAC6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine
SMILESCOc1cc(Cl)nnc1C1(C(F)(F)F)CC1
InChIInChI=1S/C9H8ClF3N2O/c1-16-5-4-6(10)14-15-7(5)8(2-3-8)9(11,12)13/h4H,2-3H2,1H3
InChIKeyFPTRUXNMOGWGSN-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.73
Rot. Bonds2

About 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine

6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine (PubChem CID 164537326) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine.

Molecular Properties

Compound Name6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine
PubChem CID164537326
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine
SMILESCOc1cc(Cl)nnc1C1(C(F)(F)F)CC1
InChIInChI=1S/C9H8ClF3N2O/c1-16-5-4-6(10)14-15-7(5)8(2-3-8)9(11,12)13/h4H,2-3H2,1H3
InChIKeyFPTRUXNMOGWGSN-UHFFFAOYSA-N
XLogP2.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine?
The IUPAC name of 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine (CID 164537326) is 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine.
What is the SMILES notation for 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine?
The canonical SMILES for 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine is COc1cc(Cl)nnc1C1(C(F)(F)F)CC1.
What is the InChIKey of 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine?
The InChIKey is FPTRUXNMOGWGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c1-16-5-4-6(10)14-15-7(5)8(2-3-8)9(11,12)13/h4H,2-3H2,1H3.
What are the key properties of 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine?
6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine has a molecular weight of 252.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine is sourced from PubChem (CID 164537326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).