2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol

C18H14F3N3O2 — CID 169066856

IUPAC2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(C(O)c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C18H14F3N3O2/c1-10-8-14(17(26)13-4-2-3-7-22-13)23-24-16(10)12-6-5-11(9-15(12)25)18(19,20)21/h2-9,17,25-26H,1H3
InChIKeyNFMHAMCRHFAJRT-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.65
Rot. Bonds3

About 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol

2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 169066856) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID169066856
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(C(O)c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C18H14F3N3O2/c1-10-8-14(17(26)13-4-2-3-7-22-13)23-24-16(10)12-6-5-11(9-15(12)25)18(19,20)21/h2-9,17,25-26H,1H3
InChIKeyNFMHAMCRHFAJRT-UHFFFAOYSA-N
XLogP3.65
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[(1R)-5-(dimethylamino)-1-hydroxypentyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 178046000
2-[6-[(1R,2S)-1-hydroxy-2-methyl-5-(methylamino)pentyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 170213670
2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 156865338
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-[6-[5-(dimethylamino)pentyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol;ethane
CID 169189956
3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol
CID 155099237
(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol
CID 100939425
2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol
CID 171697761
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066859
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102107805
(R)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481789

Frequently Asked Questions

What is the IUPAC name of 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 169066856) is 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1cc(C(O)c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is NFMHAMCRHFAJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-8-14(17(26)13-4-2-3-7-22-13)23-24-16(10)12-6-5-11(9-15(12)25)18(19,20)21/h2-9,17,25-26H,1H3.
What are the key properties of 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 361.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 169066856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).