[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol

C7H8F2N2O2 — CID 86715322

IUPAC[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol
SMILESCOc1nnc(C(F)F)cc1CO
InChIInChI=1S/C7H8F2N2O2/c1-13-7-4(3-12)2-5(6(8)9)10-11-7/h2,6,12H,3H2,1H3
InChIKeyPQDXOAZRPPEWEA-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.92
Rot. Bonds3

About [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol

[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol (PubChem CID 86715322) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol
PubChem CID86715322
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol
SMILESCOc1nnc(C(F)F)cc1CO
InChIInChI=1S/C7H8F2N2O2/c1-13-7-4(3-12)2-5(6(8)9)10-11-7/h2,6,12H,3H2,1H3
InChIKeyPQDXOAZRPPEWEA-UHFFFAOYSA-N
XLogP0.92
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol?
The IUPAC name of [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol (CID 86715322) is [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol?
The canonical SMILES for [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol is COc1nnc(C(F)F)cc1CO.
What is the InChIKey of [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol?
The InChIKey is PQDXOAZRPPEWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-7-4(3-12)2-5(6(8)9)10-11-7/h2,6,12H,3H2,1H3.
What are the key properties of [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol?
[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol has a molecular weight of 190.15 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol is sourced from PubChem (CID 86715322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).