2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one

C17H12ClFN2O — CID 7664689

IUPAC2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C17H12ClFN2O/c18-14-3-1-2-12(10-14)11-21-17(22)9-8-16(20-21)13-4-6-15(19)7-5-13/h1-10H,11H2
InChIKeyKUQBNNIPFAVCFJ-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.75
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one

2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 7664689) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID7664689
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C17H12ClFN2O/c18-14-3-1-2-12(10-14)11-21-17(22)9-8-16(20-21)13-4-6-15(19)7-5-13/h1-10H,11H2
InChIKeyKUQBNNIPFAVCFJ-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1472475
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CID 6624406
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CID 7659607
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CID 7662570
CID 7662570
CID 16014547
CID 16014547
CID 23608995
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CID 1486796
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CID 1488624
CID 1488624
CID 3831396
CID 3831396
CID 70296244
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CID 7662356
CID 7662356

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 7664689) is 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is KUQBNNIPFAVCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-14-3-1-2-12(10-14)11-21-17(22)9-8-16(20-21)13-4-6-15(19)7-5-13/h1-10H,11H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 314.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 7664689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).