1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one

C11H8ClFN2O2 — CID 91664547

IUPAC1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one
SMILESO=c1ccn(-c2cc(F)cc(Cl)c2)nc1CO
InChIInChI=1S/C11H8ClFN2O2/c12-7-3-8(13)5-9(4-7)15-2-1-11(17)10(6-16)14-15/h1-5,16H,6H2
InChIKeyJJGVFOVGZKOQOZ-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.52
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one

1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one (PubChem CID 91664547) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one
PubChem CID91664547
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one
SMILESO=c1ccn(-c2cc(F)cc(Cl)c2)nc1CO
InChIInChI=1S/C11H8ClFN2O2/c12-7-3-8(13)5-9(4-7)15-2-1-11(17)10(6-16)14-15/h1-5,16H,6H2
InChIKeyJJGVFOVGZKOQOZ-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-5-fluorophenyl)pyrazol-3-amine
CID 107371299
2-methoxyethyl N-[3-[[1-(3-chloro-5-fluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 70871668
3-[(3-aminophenyl)methyl]-1-(3,5-difluorophenyl)pyridazin-4-one
CID 89051302
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107370963
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107370965
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107370969
1-(3-chloro-5-fluorophenyl)-4-(chloromethyl)triazole
CID 107370651
3-(chloromethyl)-1-pyridin-4-ylpyridazin-4-one
CID 77231044
methyl 1-(3-fluoro-5-nitrophenyl)-4-oxopyridazine-3-carboxylate
CID 107335673
[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol
CID 106530074
[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid
CID 70871584
1-(3,4-difluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 51042763

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one (CID 91664547) is 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one is O=c1ccn(-c2cc(F)cc(Cl)c2)nc1CO.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one?
The InChIKey is JJGVFOVGZKOQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-7-3-8(13)5-9(4-7)15-2-1-11(17)10(6-16)14-15/h1-5,16H,6H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one?
1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one has a molecular weight of 254.65 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one is sourced from PubChem (CID 91664547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).