2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol

C8H8ClF3N2O2 — CID 164537199

IUPAC2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc(Cl)nnc1C(C)(O)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2/c1-7(15,8(10,11)12)6-4(16-2)3-5(9)13-14-6/h3,15H,1-2H3
InChIKeyRSODPXFBZAQGLU-UHFFFAOYSA-N
MW256.61 g/mol
LogP1.91
Rot. Bonds2

About 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol

2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 164537199) has the molecular formula C8H8ClF3N2O2 and a molecular weight of 256.61 g/mol. Its IUPAC name is 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID164537199
Molecular FormulaC8H8ClF3N2O2
Molecular Weight256.61 g/mol
Exact Mass256.02
IUPAC Name2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc(Cl)nnc1C(C)(O)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2/c1-7(15,8(10,11)12)6-4(16-2)3-5(9)13-14-6/h3,15H,1-2H3
InChIKeyRSODPXFBZAQGLU-UHFFFAOYSA-N
XLogP1.91
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol (CID 164537199) is 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol is COc1cc(Cl)nnc1C(C)(O)C(F)(F)F.
What is the InChIKey of 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is RSODPXFBZAQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2/c1-7(15,8(10,11)12)6-4(16-2)3-5(9)13-14-6/h3,15H,1-2H3.
What are the key properties of 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol?
2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 256.61 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 164537199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).