ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate

C11H12BrNO2 — CID 131329061

IUPACethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate
SMILESCCOC(=O)C1CCc2ncc(Br)cc21
InChIInChI=1S/C11H12BrNO2/c1-2-15-11(14)8-3-4-10-9(8)5-7(12)6-13-10/h5-6,8H,2-4H2,1H3
InChIKeyNGJJCQKUSDFOFR-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.44
Rot. Bonds2

About ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate

ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate (PubChem CID 131329061) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate
PubChem CID131329061
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Nameethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate
SMILESCCOC(=O)C1CCc2ncc(Br)cc21
InChIInChI=1S/C11H12BrNO2/c1-2-15-11(14)8-3-4-10-9(8)5-7(12)6-13-10/h5-6,8H,2-4H2,1H3
InChIKeyNGJJCQKUSDFOFR-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate (CID 131329061) is ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate is CCOC(=O)C1CCc2ncc(Br)cc21.
What is the InChIKey of ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate?
The InChIKey is NGJJCQKUSDFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-15-11(14)8-3-4-10-9(8)5-7(12)6-13-10/h5-6,8H,2-4H2,1H3.
What are the key properties of ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate?
ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate has a molecular weight of 270.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylate is sourced from PubChem (CID 131329061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).