tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate

C16H18Cl2N2O3 — CID 19597587

IUPACtert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2nc(Cl)c(Cl)cc2o1
InChIInChI=1S/C16H18Cl2N2O3/c1-16(2,3)23-15(21)20-6-4-5-11(20)13-8-10-12(22-13)7-9(17)14(18)19-10/h7-8,11H,4-6H2,1-3H3
InChIKeyUZDCMXKRXSNGGO-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.21
Rot. Bonds1

About tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 19597587) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
PubChem CID19597587
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC Nametert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2nc(Cl)c(Cl)cc2o1
InChIInChI=1S/C16H18Cl2N2O3/c1-16(2,3)23-15(21)20-6-4-5-11(20)13-8-10-12(22-13)7-9(17)14(18)19-10/h7-8,11H,4-6H2,1-3H3
InChIKeyUZDCMXKRXSNGGO-UHFFFAOYSA-N
XLogP5.21
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.21
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

tert-butyl (2S)-2-(5-bromofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 18396225
tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
CID 19597717
tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 19597605
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 19597635
tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
tert-butyl 2-[3-(3-chloro-2-methylphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-(3-chloropyrazin-2-yl)pyrrolidine-1-carboxylate
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tert-butyl 2-(5-amino-2-chlorophenyl)pyrrolidine-1-carboxylate
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tert-butyl 2-[6-[6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 66982100
tert-butyl 2-[6-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59610695
tert-butyl (2S)-2-[5-(2-chloroquinolin-6-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 19597587) is tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cc2nc(Cl)c(Cl)cc2o1.
What is the InChIKey of tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is UZDCMXKRXSNGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-16(2,3)23-15(21)20-6-4-5-11(20)13-8-10-12(22-13)7-9(17)14(18)19-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 357.24 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19597587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).