3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol

C16H16F3N3O4 — CID 178171635

IUPAC3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol
SMILESOCC1CN(c2ccc(-c3c(O)cc(F)cc3OC(F)F)nn2)CCO1
InChIInChI=1S/C16H16F3N3O4/c17-9-5-12(24)15(13(6-9)26-16(18)19)11-1-2-14(21-20-11)22-3-4-25-10(7-22)8-23/h1-2,5-6,10,16,23-24H,3-4,7-8H2
InChIKeyIXLLTLBBYJVECL-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.79
Rot. Bonds5

About 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol

3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol (PubChem CID 178171635) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol
PubChem CID178171635
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC Name3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol
SMILESOCC1CN(c2ccc(-c3c(O)cc(F)cc3OC(F)F)nn2)CCO1
InChIInChI=1S/C16H16F3N3O4/c17-9-5-12(24)15(13(6-9)26-16(18)19)11-1-2-14(21-20-11)22-3-4-25-10(7-22)8-23/h1-2,5-6,10,16,23-24H,3-4,7-8H2
InChIKeyIXLLTLBBYJVECL-UHFFFAOYSA-N
XLogP1.79
TPSA87.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]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

[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 106504669
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247
6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721
2-[4-(6-chloropyridazin-3-yl)morpholin-2-yl]ethanol
CID 19983176
[4-(2,6-diaminopyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217236
[(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 126485957
[4-(1,3,4-oxadiazol-2-yl)morpholin-2-yl]methanol
CID 131176674
2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 175894294
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 81210294
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol?
The IUPAC name of 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol (CID 178171635) is 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol is OCC1CN(c2ccc(-c3c(O)cc(F)cc3OC(F)F)nn2)CCO1.
What is the InChIKey of 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol?
The InChIKey is IXLLTLBBYJVECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c17-9-5-12(24)15(13(6-9)26-16(18)19)11-1-2-14(21-20-11)22-3-4-25-10(7-22)8-23/h1-2,5-6,10,16,23-24H,3-4,7-8H2.
What are the key properties of 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol?
3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol has a molecular weight of 371.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-fluoro-2-[6-[2-(hydroxymethyl)morpholin-4-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 178171635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).