methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate

C11H12Cl2N2O2 — CID 146387890

IUPACmethyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C11H12Cl2N2O2/c1-17-11(16)8-3-2-6-15(8)9-5-4-7(12)10(13)14-9/h4-5,8H,2-3,6H2,1H3
InChIKeyHEFGKPJPPCJPLM-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.53
Rot. Bonds2

About methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate

methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate (PubChem CID 146387890) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
PubChem CID146387890
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Namemethyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C11H12Cl2N2O2/c1-17-11(16)8-3-2-6-15(8)9-5-4-7(12)10(13)14-9/h4-5,8H,2-3,6H2,1H3
InChIKeyHEFGKPJPPCJPLM-UHFFFAOYSA-N
XLogP2.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
CID 66284729
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(5-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473976
methyl 1-(3,4-dichlorophenyl)azetidine-2-carboxylate
CID 112581074
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate
CID 115538219
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate (CID 146387890) is methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1ccc(Cl)c(Cl)n1.
What is the InChIKey of methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The InChIKey is HEFGKPJPPCJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-17-11(16)8-3-2-6-15(8)9-5-4-7(12)10(13)14-9/h4-5,8H,2-3,6H2,1H3.
What are the key properties of methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate?
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate has a molecular weight of 275.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 146387890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).