2-(2-fluoroethyl)-6-methylpyridazin-3-one

C7H9FN2O — CID 59803334

IUPAC2-(2-fluoroethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCF)n1
InChIInChI=1S/C7H9FN2O/c1-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3
InChIKeyFNDPAXCLRKABOL-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.52
Rot. Bonds2

About 2-(2-fluoroethyl)-6-methylpyridazin-3-one

2-(2-fluoroethyl)-6-methylpyridazin-3-one (PubChem CID 59803334) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-6-methylpyridazin-3-one
PubChem CID59803334
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-(2-fluoroethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCF)n1
InChIInChI=1S/C7H9FN2O/c1-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3
InChIKeyFNDPAXCLRKABOL-UHFFFAOYSA-N
XLogP0.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(2-fluoroethyl)-6-methylpyridazin-3-one (CID 59803334) is 2-(2-fluoroethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-fluoroethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(2-fluoroethyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCF)n1.
What is the InChIKey of 2-(2-fluoroethyl)-6-methylpyridazin-3-one?
The InChIKey is FNDPAXCLRKABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-6-methylpyridazin-3-one?
2-(2-fluoroethyl)-6-methylpyridazin-3-one has a molecular weight of 156.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 59803334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).