4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one

C19H15F2IN2O3 — CID 138487436

IUPAC4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one
SMILESCOc1ccc(Cn2nc(C)cc(Oc3c(F)cc(I)cc3F)c2=O)cc1
InChIInChI=1S/C19H15F2IN2O3/c1-11-7-17(27-18-15(20)8-13(22)9-16(18)21)19(25)24(23-11)10-12-3-5-14(26-2)6-4-12/h3-9H,10H2,1-2H3
InChIKeyQKKZRRRTSJGMFL-UHFFFAOYSA-N
MW484.24 g/mol
LogP4.28
Rot. Bonds5

About 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one

4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one (PubChem CID 138487436) has the molecular formula C19H15F2IN2O3 and a molecular weight of 484.24 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one
PubChem CID138487436
Molecular FormulaC19H15F2IN2O3
Molecular Weight484.24 g/mol
Exact Mass484.01
IUPAC Name4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one
SMILESCOc1ccc(Cn2nc(C)cc(Oc3c(F)cc(I)cc3F)c2=O)cc1
InChIInChI=1S/C19H15F2IN2O3/c1-11-7-17(27-18-15(20)8-13(22)9-16(18)21)19(25)24(23-11)10-12-3-5-14(26-2)6-4-12/h3-9H,10H2,1-2H3
InChIKeyQKKZRRRTSJGMFL-UHFFFAOYSA-N
XLogP4.28
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-3-fluoro-2-methylphenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one
CID 138487517
methyl 3-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methyl]-6-methyl-3-oxopyridazin-4-yl]oxybenzoate
CID 138487716
4-amino-6-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 168896400
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluoro-3-methylbenzoate
CID 44537804
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 86715312
5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449113
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
6-bromo-2-[(4-methoxyphenyl)methyl]-4-(trifluoromethoxy)phthalazin-1-one
CID 162731856
4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 168896480

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one (CID 138487436) is 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one is COc1ccc(Cn2nc(C)cc(Oc3c(F)cc(I)cc3F)c2=O)cc1.
What is the InChIKey of 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is QKKZRRRTSJGMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2IN2O3/c1-11-7-17(27-18-15(20)8-13(22)9-16(18)21)19(25)24(23-11)10-12-3-5-14(26-2)6-4-12/h3-9H,10H2,1-2H3.
What are the key properties of 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one?
4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one has a molecular weight of 484.24 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 138487436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).