4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol

C12H10F2N2O — CID 162629950

IUPAC4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol
SMILESCc1cnnc(-c2cc(F)c(O)c(F)c2)c1C
InChIInChI=1S/C12H10F2N2O/c1-6-5-15-16-11(7(6)2)8-3-9(13)12(17)10(14)4-8/h3-5,17H,1-2H3
InChIKeyKMFUGSUTMKRKNL-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.74
Rot. Bonds1

About 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol

4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol (PubChem CID 162629950) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol.

Molecular Properties

Compound Name4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol
PubChem CID162629950
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol
SMILESCc1cnnc(-c2cc(F)c(O)c(F)c2)c1C
InChIInChI=1S/C12H10F2N2O/c1-6-5-15-16-11(7(6)2)8-3-9(13)12(17)10(14)4-8/h3-5,17H,1-2H3
InChIKeyKMFUGSUTMKRKNL-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol?
The IUPAC name of 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol (CID 162629950) is 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol.
What is the SMILES notation for 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol?
The canonical SMILES for 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol is Cc1cnnc(-c2cc(F)c(O)c(F)c2)c1C.
What is the InChIKey of 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol?
The InChIKey is KMFUGSUTMKRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-6-5-15-16-11(7(6)2)8-3-9(13)12(17)10(14)4-8/h3-5,17H,1-2H3.
What are the key properties of 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol?
4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol has a molecular weight of 236.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol is sourced from PubChem (CID 162629950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).