(2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate

C19H14Cl2N2O3 — CID 24572321

IUPAC(2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
SMILESCc1ccccc1COC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C19H14Cl2N2O3/c1-12-6-2-3-7-13(12)11-26-19(25)14-8-4-5-9-16(14)23-18(24)17(21)15(20)10-22-23/h2-10H,11H2,1H3
InChIKeyQKEXSNVCOOCJCL-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.20
Rot. Bonds4

About (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate

(2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate (PubChem CID 24572321) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
PubChem CID24572321
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name(2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
SMILESCc1ccccc1COC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C19H14Cl2N2O3/c1-12-6-2-3-7-13(12)11-26-19(25)14-8-4-5-9-16(14)23-18(24)17(21)15(20)10-22-23/h2-10H,11H2,1H3
InChIKeyQKEXSNVCOOCJCL-UHFFFAOYSA-N
XLogP4.20
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-dichlorocyclopropyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
CID 18286795
[(1S)-2,2-dichlorocyclopropyl]methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
CID 30472175
[(E)-3-phenylprop-2-enyl] 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
CID 24522928
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
CID 18158067
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate
CID 1474461
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
methyl 2-[5-chloro-6-oxo-4-(quinolin-8-ylmethylamino)pyridazin-1-yl]benzoate
CID 133277487
(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994023
methyl 2-[5-chloro-4-[methyl(2-methylprop-2-enyl)amino]-6-oxopyridazin-1-yl]benzoate
CID 133439078
(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
methyl 2-[4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-5-chloro-6-oxopyridazin-1-yl]benzoate
CID 133338729

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate?
The IUPAC name of (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate (CID 24572321) is (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate.
What is the SMILES notation for (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate?
The canonical SMILES for (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate is Cc1ccccc1COC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate?
The InChIKey is QKEXSNVCOOCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c1-12-6-2-3-7-13(12)11-26-19(25)14-8-4-5-9-16(14)23-18(24)17(21)15(20)10-22-23/h2-10H,11H2,1H3.
What are the key properties of (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate?
(2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate has a molecular weight of 389.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate is sourced from PubChem (CID 24572321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).