1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

C11H8FN3O3 — CID 54686263

IUPAC1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-9(17)5-8(16)10(14-15)11(13)18/h1-5,16H,(H2,13,18)
InChIKeyRNTLTECWFATHKC-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.18
Rot. Bonds2

About 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 54686263) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID54686263
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-9(17)5-8(16)10(14-15)11(13)18/h1-5,16H,(H2,13,18)
InChIKeyRNTLTECWFATHKC-UHFFFAOYSA-N
XLogP0.18
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 54686263) is 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1O.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is RNTLTECWFATHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-9(17)5-8(16)10(14-15)11(13)18/h1-5,16H,(H2,13,18).
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 249.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 54686263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).