[6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol

C8H10F2N2O — CID 118426471

IUPAC[6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol
SMILESCc1nnc(C(C)(F)F)cc1CO
InChIInChI=1S/C8H10F2N2O/c1-5-6(4-13)3-7(12-11-5)8(2,9)10/h3,13H,4H2,1-2H3
InChIKeyBYOIKTSSVLUYRK-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.39
Rot. Bonds2

About [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol

[6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol (PubChem CID 118426471) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol.

Molecular Properties

Compound Name[6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol
PubChem CID118426471
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol
SMILESCc1nnc(C(C)(F)F)cc1CO
InChIInChI=1S/C8H10F2N2O/c1-5-6(4-13)3-7(12-11-5)8(2,9)10/h3,13H,4H2,1-2H3
InChIKeyBYOIKTSSVLUYRK-UHFFFAOYSA-N
XLogP1.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol?
The IUPAC name of [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol (CID 118426471) is [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol.
What is the SMILES notation for [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol?
The canonical SMILES for [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol is Cc1nnc(C(C)(F)F)cc1CO.
What is the InChIKey of [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol?
The InChIKey is BYOIKTSSVLUYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-6(4-13)3-7(12-11-5)8(2,9)10/h3,13H,4H2,1-2H3.
What are the key properties of [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol?
[6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol has a molecular weight of 188.18 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-difluoroethyl)-3-methylpyridazin-4-yl]methanol is sourced from PubChem (CID 118426471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).