2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol

C12H9F3N2O — CID 135743670

IUPAC2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol
SMILESCc1nnccc1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C12H9F3N2O/c1-7-9(4-5-16-17-7)10-6-8(12(13,14)15)2-3-11(10)18/h2-6,18H,1H3
InChIKeyLZXZSFHFMRMWLZ-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.18
Rot. Bonds1

About 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol

2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol (PubChem CID 135743670) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol
PubChem CID135743670
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol
SMILESCc1nnccc1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C12H9F3N2O/c1-7-9(4-5-16-17-7)10-6-8(12(13,14)15)2-3-11(10)18/h2-6,18H,1H3
InChIKeyLZXZSFHFMRMWLZ-UHFFFAOYSA-N
XLogP3.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol (CID 135743670) is 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol is Cc1nnccc1-c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol?
The InChIKey is LZXZSFHFMRMWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-7-9(4-5-16-17-7)10-6-8(12(13,14)15)2-3-11(10)18/h2-6,18H,1H3.
What are the key properties of 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol?
2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol has a molecular weight of 254.21 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyridazin-4-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 135743670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).