ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate

C19H18Cl2N2O2 — CID 69309181

IUPACethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nn2c(Cl)ccc2c1-c1ccccc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-4-25-19(24)17-16(12-7-5-6-8-13(12)20)14-9-10-15(21)23(14)22-18(17)11(2)3/h5-11H,4H2,1-3H3
InChIKeySNZPTFNEIHDDOH-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.61
Rot. Bonds4

About ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 69309181) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID69309181
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Nameethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nn2c(Cl)ccc2c1-c1ccccc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-4-25-19(24)17-16(12-7-5-6-8-13(12)20)14-9-10-15(21)23(14)22-18(17)11(2)3/h5-11H,4H2,1-3H3
InChIKeySNZPTFNEIHDDOH-UHFFFAOYSA-N
XLogP5.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(2-chlorophenyl)indolizine-1-carboxylate
CID 1491222
Ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
CID 3772753
Ethyl 7-(4-chlorobenzoyl)pyrrolo[1,2-B]pyridazine-5-carboxylate
CID 4151545
ethyl 3-(o-chlorophenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 25014975
Ethyl 2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137654216
Ethyl 7-(4-chlorobenzoyl)-5-(trifluoromethyl)pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 72375407
Butyl 2-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137644430
Ethyl 2-(3-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137645041
Ethyl 1-(3-chlorophenyl)-5-(4-chlorophenyl)-3-methylpyrazole-4-carboxylate
CID 145981856
Ethyl 1,5-bis(3-chlorophenyl)-3-methylpyrazole-4-carboxylate
CID 145993222
Ethyl 3-ethylpyrrolo[2,1-a]phthalazine-1-carboxylate
CID 5007835
Dimethyl 7-ethyl-2-(4-methylphenyl)pyrrolo(1,2-B)pyridazine-5,6-dicarboxylate
CID 24208962

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate (CID 69309181) is ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c(C(C)C)nn2c(Cl)ccc2c1-c1ccccc1Cl.
What is the InChIKey of ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is SNZPTFNEIHDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-4-25-19(24)17-16(12-7-5-6-8-13(12)20)14-9-10-15(21)23(14)22-18(17)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 377.27 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 69309181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).