2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H6ClF6N3O — CID 155284822

IUPAC2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CNc1ccc(Cl)nn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6ClF6N3O/c9-4-1-2-5(18-17-4)16-3-6(19,7(10,11)12)8(13,14)15/h1-2,19H,3H2,(H,16,18)
InChIKeyNHLANLGFOGLZNJ-UHFFFAOYSA-N
MW309.60 g/mol
LogP2.40
Rot. Bonds3

About 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 155284822) has the molecular formula C8H6ClF6N3O and a molecular weight of 309.60 g/mol. Its IUPAC name is 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID155284822
Molecular FormulaC8H6ClF6N3O
Molecular Weight309.60 g/mol
Exact Mass309.01
IUPAC Name2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CNc1ccc(Cl)nn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6ClF6N3O/c9-4-1-2-5(18-17-4)16-3-6(19,7(10,11)12)8(13,14)15/h1-2,19H,3H2,(H,16,18)
InChIKeyNHLANLGFOGLZNJ-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.60
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 155284822) is 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(CNc1ccc(Cl)nn1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NHLANLGFOGLZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF6N3O/c9-4-1-2-5(18-17-4)16-3-6(19,7(10,11)12)8(13,14)15/h1-2,19H,3H2,(H,16,18).
What are the key properties of 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 309.60 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloropyridazin-3-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 155284822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).