(3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate

C11H13ClN2O6 — CID 87616939

IUPAC(3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1c(C)nnc(Cl)c1OC(=O)OCC
InChIInChI=1S/C11H13ClN2O6/c1-4-17-10(15)19-7-6(3)13-14-9(12)8(7)20-11(16)18-5-2/h4-5H2,1-3H3
InChIKeyQGUBCVSFUGTPJN-UHFFFAOYSA-N
MW304.69 g/mol
LogP2.51
Rot. Bonds4

About (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate

(3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate (PubChem CID 87616939) has the molecular formula C11H13ClN2O6 and a molecular weight of 304.69 g/mol. Its IUPAC name is (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate.

Molecular Properties

Compound Name(3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate
PubChem CID87616939
Molecular FormulaC11H13ClN2O6
Molecular Weight304.69 g/mol
Exact Mass304.05
IUPAC Name(3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1c(C)nnc(Cl)c1OC(=O)OCC
InChIInChI=1S/C11H13ClN2O6/c1-4-17-10(15)19-7-6(3)13-14-9(12)8(7)20-11(16)18-5-2/h4-5H2,1-3H3
InChIKeyQGUBCVSFUGTPJN-UHFFFAOYSA-N
XLogP2.51
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177802
ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane
CID 143061271
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
CID 175796855
CID 175796855
ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
CID 15307848
ethyl (2-methylcyclohexen-1-yl) carbonate
CID 12592129
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
(4-carboxyoxy-1,2,5-oxadiazol-3-yl) ethyl carbonate
CID 70527253
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate?
The IUPAC name of (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate (CID 87616939) is (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate.
What is the SMILES notation for (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate?
The canonical SMILES for (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate is CCOC(=O)Oc1c(C)nnc(Cl)c1OC(=O)OCC.
What is the InChIKey of (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate?
The InChIKey is QGUBCVSFUGTPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O6/c1-4-17-10(15)19-7-6(3)13-14-9(12)8(7)20-11(16)18-5-2/h4-5H2,1-3H3.
What are the key properties of (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate?
(3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate has a molecular weight of 304.69 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-ethoxycarbonyloxy-6-methylpyridazin-4-yl) ethyl carbonate is sourced from PubChem (CID 87616939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).