ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate

C11H11F2NO2 — CID 171446396

IUPACethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc2c1CC(F)(F)C2
InChIInChI=1S/C11H11F2NO2/c1-2-16-10(15)7-3-4-14-9-6-11(12,13)5-8(7)9/h3-4H,2,5-6H2,1H3
InChIKeyHZYFFLUDLXGXMZ-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.99
Rot. Bonds2

About ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate

ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate (PubChem CID 171446396) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate
PubChem CID171446396
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Nameethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc2c1CC(F)(F)C2
InChIInChI=1S/C11H11F2NO2/c1-2-16-10(15)7-3-4-14-9-6-11(12,13)5-8(7)9/h3-4H,2,5-6H2,1H3
InChIKeyHZYFFLUDLXGXMZ-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate (CID 171446396) is ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate is CCOC(=O)c1ccnc2c1CC(F)(F)C2.
What is the InChIKey of ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate?
The InChIKey is HZYFFLUDLXGXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-2-16-10(15)7-3-4-14-9-6-11(12,13)5-8(7)9/h3-4H,2,5-6H2,1H3.
What are the key properties of ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate?
ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate has a molecular weight of 227.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,6-difluoro-5,7-dihydrocyclopenta[b]pyridine-4-carboxylate is sourced from PubChem (CID 171446396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).