[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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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).