2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one

C16H14FN3O — CID 69190697

IUPAC2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2=CC(=Cc3cccc(F)c3)CC=N2)[nH]1
InChIInChI=1S/C16H14FN3O/c1-11-7-16(21)20(19-11)15-10-13(5-6-18-15)8-12-3-2-4-14(17)9-12/h2-4,6-10,19H,5H2,1H3
InChIKeyXXOYLDGPIGFHTR-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.98
Rot. Bonds2

About 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one

2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one (PubChem CID 69190697) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one
PubChem CID69190697
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2=CC(=Cc3cccc(F)c3)CC=N2)[nH]1
InChIInChI=1S/C16H14FN3O/c1-11-7-16(21)20(19-11)15-10-13(5-6-18-15)8-12-3-2-4-14(17)9-12/h2-4,6-10,19H,5H2,1H3
InChIKeyXXOYLDGPIGFHTR-UHFFFAOYSA-N
XLogP2.98
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one (CID 69190697) is 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(C2=CC(=Cc3cccc(F)c3)CC=N2)[nH]1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is XXOYLDGPIGFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-7-16(21)20(19-11)15-10-13(5-6-18-15)8-12-3-2-4-14(17)9-12/h2-4,6-10,19H,5H2,1H3.
What are the key properties of 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one?
2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 283.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methylidene]-3H-pyridin-6-yl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 69190697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).