4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine

C13H11F3N2O — CID 66652883

IUPAC4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnnc1C
InChIInChI=1S/C13H11F3N2O/c1-8-10(5-6-17-18-8)11-7-9(13(14,15)16)3-4-12(11)19-2/h3-7H,1-2H3
InChIKeyBBNQMZDNODZCRW-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.48
Rot. Bonds2

About 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine

4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine (PubChem CID 66652883) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine.

Molecular Properties

Compound Name4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine
PubChem CID66652883
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnnc1C
InChIInChI=1S/C13H11F3N2O/c1-8-10(5-6-17-18-8)11-7-9(13(14,15)16)3-4-12(11)19-2/h3-7H,1-2H3
InChIKeyBBNQMZDNODZCRW-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine?
The IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine (CID 66652883) is 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine.
What is the SMILES notation for 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine?
The canonical SMILES for 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine is COc1ccc(C(F)(F)F)cc1-c1ccnnc1C.
What is the InChIKey of 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine?
The InChIKey is BBNQMZDNODZCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-10(5-6-17-18-8)11-7-9(13(14,15)16)3-4-12(11)19-2/h3-7H,1-2H3.
What are the key properties of 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine?
4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine has a molecular weight of 268.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylpyridazine is sourced from PubChem (CID 66652883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).