2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol

C19H15F4N3O — CID 169066859

IUPAC2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(-c2ccc(C(F)(F)F)cc2O)nnc(C(F)c2cccnc2)c1C
InChIInChI=1S/C19H15F4N3O/c1-10-11(2)18(16(20)12-4-3-7-24-9-12)26-25-17(10)14-6-5-13(8-15(14)27)19(21,22)23/h3-9,16,27H,1-2H3
InChIKeyIYXNLDHRZZJKJY-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.94
Rot. Bonds3

About 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol

2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 169066859) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID169066859
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(-c2ccc(C(F)(F)F)cc2O)nnc(C(F)c2cccnc2)c1C
InChIInChI=1S/C19H15F4N3O/c1-10-11(2)18(16(20)12-4-3-7-24-9-12)26-25-17(10)14-6-5-13(8-15(14)27)19(21,22)23/h3-9,16,27H,1-2H3
InChIKeyIYXNLDHRZZJKJY-UHFFFAOYSA-N
XLogP4.94
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 169066859) is 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1c(-c2ccc(C(F)(F)F)cc2O)nnc(C(F)c2cccnc2)c1C.
What is the InChIKey of 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is IYXNLDHRZZJKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-10-11(2)18(16(20)12-4-3-7-24-9-12)26-25-17(10)14-6-5-13(8-15(14)27)19(21,22)23/h3-9,16,27H,1-2H3.
What are the key properties of 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 377.34 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[fluoro(pyridin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 169066859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).