ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

C10H12ClN3O2 — CID 12582766

IUPACethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1CCc2nnc(Cl)cc2C1
InChIInChI=1S/C10H12ClN3O2/c1-2-16-10(15)14-4-3-8-7(6-14)5-9(11)13-12-8/h5H,2-4,6H2,1H3
InChIKeyVJSCICINBIBEOF-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.64
Rot. Bonds1

About ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (PubChem CID 12582766) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
PubChem CID12582766
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Nameethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1CCc2nnc(Cl)cc2C1
InChIInChI=1S/C10H12ClN3O2/c1-2-16-10(15)14-4-3-8-7(6-14)5-9(11)13-12-8/h5H,2-4,6H2,1H3
InChIKeyVJSCICINBIBEOF-UHFFFAOYSA-N
XLogP1.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The IUPAC name of ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (CID 12582766) is ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.
What is the SMILES notation for ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The canonical SMILES for ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is CCOC(=O)N1CCc2nnc(Cl)cc2C1.
What is the InChIKey of ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The InChIKey is VJSCICINBIBEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-2-16-10(15)14-4-3-8-7(6-14)5-9(11)13-12-8/h5H,2-4,6H2,1H3.
What are the key properties of ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate has a molecular weight of 241.68 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is sourced from PubChem (CID 12582766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).