2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol

C16H15FN2O — CID 57108506

IUPAC2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2C1c1cccnn1
InChIInChI=1S/C16H15FN2O/c1-10-12(6-8-20)14-9-11(17)4-5-13(14)16(10)15-3-2-7-18-19-15/h2-5,7,9,16,20H,6,8H2,1H3
InChIKeyAWRGISFRXAQLSC-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.92
Rot. Bonds3

About 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol

2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol (PubChem CID 57108506) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol
PubChem CID57108506
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2C1c1cccnn1
InChIInChI=1S/C16H15FN2O/c1-10-12(6-8-20)14-9-11(17)4-5-13(14)16(10)15-3-2-7-18-19-15/h2-5,7,9,16,20H,6,8H2,1H3
InChIKeyAWRGISFRXAQLSC-UHFFFAOYSA-N
XLogP2.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol?
The IUPAC name of 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol (CID 57108506) is 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol is CC1=C(CCO)c2cc(F)ccc2C1c1cccnn1.
What is the InChIKey of 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol?
The InChIKey is AWRGISFRXAQLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-12(6-8-20)14-9-11(17)4-5-13(14)16(10)15-3-2-7-18-19-15/h2-5,7,9,16,20H,6,8H2,1H3.
What are the key properties of 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol?
2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol has a molecular weight of 270.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-3-pyridazin-3-yl-3H-inden-1-yl)ethanol is sourced from PubChem (CID 57108506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).