ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate

C12H14BrClN2O2 — CID 103583949

IUPACethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-2-18-12(17)10-4-3-5-16(10)11-9(14)6-8(13)7-15-11/h6-7,10H,2-5H2,1H3
InChIKeyDRKPEYSUQMFYIF-UHFFFAOYSA-N
MW333.61 g/mol
LogP3.03
Rot. Bonds3

About ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate

ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate (PubChem CID 103583949) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
PubChem CID103583949
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Nameethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-2-18-12(17)10-4-3-5-16(10)11-9(14)6-8(13)7-15-11/h6-7,10H,2-5H2,1H3
InChIKeyDRKPEYSUQMFYIF-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
ethyl (2S)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 58324356
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
ethyl 5-bromo-2-(5-bromo-3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate
CID 59765837
ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 114051037
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
ethyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989684
ethyl 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylate
CID 47006019
1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
CID 103582821
ethyl 1-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
CID 79399934
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate (CID 103583949) is ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1ncc(Br)cc1Cl.
What is the InChIKey of ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The InChIKey is DRKPEYSUQMFYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-2-18-12(17)10-4-3-5-16(10)11-9(14)6-8(13)7-15-11/h6-7,10H,2-5H2,1H3.
What are the key properties of ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate has a molecular weight of 333.61 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 103583949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).