[6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate

C19H15ClN2O3 — CID 57464521

IUPAC[6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(Cl)nnc2Oc2ccccc2C)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12-7-9-14(10-8-12)19(23)25-16-11-17(20)21-22-18(16)24-15-6-4-3-5-13(15)2/h3-11H,1-2H3
InChIKeyATPIJCSIISRXNF-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.76
Rot. Bonds4

About [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate

[6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate (PubChem CID 57464521) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate.

Molecular Properties

Compound Name[6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate
PubChem CID57464521
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name[6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(Cl)nnc2Oc2ccccc2C)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12-7-9-14(10-8-12)19(23)25-16-11-17(20)21-22-18(16)24-15-6-4-3-5-13(15)2/h3-11H,1-2H3
InChIKeyATPIJCSIISRXNF-UHFFFAOYSA-N
XLogP4.76
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-chloro-3-(2-propan-2-ylphenoxy)pyridazin-4-yl] 4-methylbenzoate
CID 57464536
[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate
CID 57464513
[6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 2,2,2-trichloroethyl carbonate
CID 22940045
[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-fluorobenzoate
CID 57486519
[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-chlorobenzoate
CID 57486476
[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 3,4-dichlorobenzoate
CID 23014006
3-[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl]oxycarbonylbenzoic acid
CID 174458770
bis[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] benzene-1,2-dicarboxylate
CID 87670396
(2,5-dimethylphenyl) 4-phenylbenzoate
CID 1234511
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(3-methyl-2-pyridin-2-yloxyphenyl) 4-methylbenzoate
CID 122204207
(4-bromo-2-chlorophenyl) 4-methylbenzoate
CID 833480

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate?
The IUPAC name of [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate (CID 57464521) is [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate.
What is the SMILES notation for [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate?
The canonical SMILES for [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2cc(Cl)nnc2Oc2ccccc2C)cc1.
What is the InChIKey of [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate?
The InChIKey is ATPIJCSIISRXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-12-7-9-14(10-8-12)19(23)25-16-11-17(20)21-22-18(16)24-15-6-4-3-5-13(15)2/h3-11H,1-2H3.
What are the key properties of [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate?
[6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate has a molecular weight of 354.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(2-methylphenoxy)pyridazin-4-yl] 4-methylbenzoate is sourced from PubChem (CID 57464521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).