[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone

C19H14F3N3O2 — CID 169066784

IUPAC[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone
SMILESCc1c(C(=O)c2cccnc2)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C19H14F3N3O2/c1-10-11(2)17(18(27)12-4-3-7-23-9-12)25-24-16(10)14-6-5-13(8-15(14)26)19(20,21)22/h3-9,26H,1-2H3
InChIKeyOBXVHIYODGQFRS-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.11
Rot. Bonds3

About [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone

[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone (PubChem CID 169066784) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone
PubChem CID169066784
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone
SMILESCc1c(C(=O)c2cccnc2)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C19H14F3N3O2/c1-10-11(2)17(18(27)12-4-3-7-23-9-12)25-24-16(10)14-6-5-13(8-15(14)26)19(20,21)22/h3-9,26H,1-2H3
InChIKeyOBXVHIYODGQFRS-UHFFFAOYSA-N
XLogP4.11
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066859
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
CID 10085854
formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 175894605
[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621945
pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 139764799
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
2-[5-methyl-3-(pyridazin-3-ylmethylamino)-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763616
N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 171502365
[3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621971
2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 171104169
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285

Frequently Asked Questions

What is the IUPAC name of [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone (CID 169066784) is [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone is Cc1c(C(=O)c2cccnc2)nnc(-c2ccc(C(F)(F)F)cc2O)c1C.
What is the InChIKey of [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is OBXVHIYODGQFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-10-11(2)17(18(27)12-4-3-7-23-9-12)25-24-16(10)14-6-5-13(8-15(14)26)19(20,21)22/h3-9,26H,1-2H3.
What are the key properties of [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone?
[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 373.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 169066784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).