methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate

C8H4Cl2N2O3 — CID 12564369

IUPACmethyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)nnc(Cl)c2o1
InChIInChI=1S/C8H4Cl2N2O3/c1-14-8(13)4-2-3-5(15-4)7(10)12-11-6(3)9/h2H,1H3
InChIKeyRXDKLHCHPMIEDD-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.32
Rot. Bonds1

About methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate

methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate (PubChem CID 12564369) has the molecular formula C8H4Cl2N2O3 and a molecular weight of 247.04 g/mol. Its IUPAC name is methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate
PubChem CID12564369
Molecular FormulaC8H4Cl2N2O3
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Namemethyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)nnc(Cl)c2o1
InChIInChI=1S/C8H4Cl2N2O3/c1-14-8(13)4-2-3-5(15-4)7(10)12-11-6(3)9/h2H,1H3
InChIKeyRXDKLHCHPMIEDD-UHFFFAOYSA-N
XLogP2.32
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-6-methyl-1-benzofuran-2-carboxylate
CID 165469200
methyl 4,5,6,7-tetraphenyl-1-benzofuran-2-carboxylate
CID 162398645
methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
CID 14916652
methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate
CID 171819217
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
methyl 6-chloro-5-methoxypyridazine-3-carboxylate
CID 169452804
methyl 5-bromo-7-methyl-1-benzofuran-2-carboxylate
CID 131285670
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
CID 914782
methyl 6-methoxy-4-methylfuro[3,2-b]indole-2-carboxylate
CID 132587331
methyl 4-chloro-6-isocyanato-5-methoxy-1-benzofuran-2-carboxylate
CID 169355547
methyl 6-methyl-1-oxoisochromene-3-carboxylate
CID 165441452
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399

Frequently Asked Questions

What is the IUPAC name of methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate?
The IUPAC name of methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate (CID 12564369) is methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate.
What is the SMILES notation for methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate?
The canonical SMILES for methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate is COC(=O)c1cc2c(Cl)nnc(Cl)c2o1.
What is the InChIKey of methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate?
The InChIKey is RXDKLHCHPMIEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O3/c1-14-8(13)4-2-3-5(15-4)7(10)12-11-6(3)9/h2H,1H3.
What are the key properties of methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate?
methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate has a molecular weight of 247.04 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate is sourced from PubChem (CID 12564369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).