6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one

C11H10FN3O — CID 167525858

IUPAC6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(N)cc2F)ccc1=O
InChIInChI=1S/C11H10FN3O/c1-15-11(16)5-4-10(14-15)8-3-2-7(13)6-9(8)12/h2-6H,13H2,1H3
InChIKeyBTPBVDSWDLKRBS-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.17
Rot. Bonds1

About 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one

6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one (PubChem CID 167525858) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one
PubChem CID167525858
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(N)cc2F)ccc1=O
InChIInChI=1S/C11H10FN3O/c1-15-11(16)5-4-10(14-15)8-3-2-7(13)6-9(8)12/h2-6H,13H2,1H3
InChIKeyBTPBVDSWDLKRBS-UHFFFAOYSA-N
XLogP1.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one (CID 167525858) is 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one is Cn1nc(-c2ccc(N)cc2F)ccc1=O.
What is the InChIKey of 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one?
The InChIKey is BTPBVDSWDLKRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-11(16)5-4-10(14-15)8-3-2-7(13)6-9(8)12/h2-6H,13H2,1H3.
What are the key properties of 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one?
6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one has a molecular weight of 219.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-fluorophenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 167525858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).