methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate

C11H12ClN3O3 — CID 60859196

IUPACmethyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H12ClN3O3/c1-18-11(17)8-3-2-6-15(8)10(16)7-4-5-9(12)14-13-7/h4-5,8H,2-3,6H2,1H3
InChIKeyDYPVCWQREGHIQL-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.91
Rot. Bonds2

About methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 60859196) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID60859196
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Namemethyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H12ClN3O3/c1-18-11(17)8-3-2-6-15(8)10(16)7-4-5-9(12)14-13-7/h4-5,8H,2-3,6H2,1H3
InChIKeyDYPVCWQREGHIQL-UHFFFAOYSA-N
XLogP0.91
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-chloropyridazin-3-yl)methanone
CID 60859361
methyl (2S)-1-(3-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 139728189
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80640905
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410330
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate (CID 60859196) is methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc(Cl)nn1.
What is the InChIKey of methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is DYPVCWQREGHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-18-11(17)8-3-2-6-15(8)10(16)7-4-5-9(12)14-13-7/h4-5,8H,2-3,6H2,1H3.
What are the key properties of methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 269.69 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 60859196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).