2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one

C19H16ClFN2O2 — CID 22562236

IUPAC2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one
SMILESCc1cc(-c2cc(CO)c(=O)n(Cc3ccc(Cl)cc3)n2)ccc1F
InChIInChI=1S/C19H16ClFN2O2/c1-12-8-14(4-7-17(12)21)18-9-15(11-24)19(25)23(22-18)10-13-2-5-16(20)6-3-13/h2-9,24H,10-11H2,1H3
InChIKeyONVFLBBSXXUQAP-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.55
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one

2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one (PubChem CID 22562236) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one
PubChem CID22562236
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one
SMILESCc1cc(-c2cc(CO)c(=O)n(Cc3ccc(Cl)cc3)n2)ccc1F
InChIInChI=1S/C19H16ClFN2O2/c1-12-8-14(4-7-17(12)21)18-9-15(11-24)19(25)23(22-18)10-13-2-5-16(20)6-3-13/h2-9,24H,10-11H2,1H3
InChIKeyONVFLBBSXXUQAP-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one (CID 22562236) is 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one is Cc1cc(-c2cc(CO)c(=O)n(Cc3ccc(Cl)cc3)n2)ccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one?
The InChIKey is ONVFLBBSXXUQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-12-8-14(4-7-17(12)21)18-9-15(11-24)19(25)23(22-18)10-13-2-5-16(20)6-3-13/h2-9,24H,10-11H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one?
2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one has a molecular weight of 358.80 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)pyridazin-3-one is sourced from PubChem (CID 22562236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).