3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one

C10H5ClF2N2O — CID 106516982

IUPAC3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(Cl)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H5ClF2N2O/c11-9-4-6(10(16)15-14-9)5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16)
InChIKeyKPHDYKFLJLNEKY-UHFFFAOYSA-N
MW242.61 g/mol
LogP2.37
Rot. Bonds1

About 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one

3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one (PubChem CID 106516982) has the molecular formula C10H5ClF2N2O and a molecular weight of 242.61 g/mol. Its IUPAC name is 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one
PubChem CID106516982
Molecular FormulaC10H5ClF2N2O
Molecular Weight242.61 g/mol
Exact Mass242.01
IUPAC Name3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(Cl)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H5ClF2N2O/c11-9-4-6(10(16)15-14-9)5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16)
InChIKeyKPHDYKFLJLNEKY-UHFFFAOYSA-N
XLogP2.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28805276
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
CID 106520555
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one
CID 46311954
5-(3-chlorophenyl)-3-propan-2-yl-1H-pyridazin-6-one
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6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277
5-(chloromethyl)-3-(3,4-difluorophenyl)-1H-1,2,4-triazole
CID 79599919
3-(3,4-difluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 62111842
4-chloro-5-(3,4-difluorophenyl)-1H-pyrazole
CID 61395009
3-N-[3-chloro-4-(3,4-difluorophenyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632479
3-methyl-5-(4-methylphenyl)-1H-pyridazin-6-one
CID 173296566
9-chloro-7-(3,4-difluorophenyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 90035894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one (CID 106516982) is 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one is O=c1[nH]nc(Cl)cc1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one?
The InChIKey is KPHDYKFLJLNEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O/c11-9-4-6(10(16)15-14-9)5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16).
What are the key properties of 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one?
3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one has a molecular weight of 242.61 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 106516982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).