ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate

C12H14FNO2 — CID 156862452

IUPACethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
SMILESCCOC(=O)C1Cc2ncc(F)c(C)c2C1
InChIInChI=1S/C12H14FNO2/c1-3-16-12(15)8-4-9-7(2)10(13)6-14-11(9)5-8/h6,8H,3-5H2,1-2H3
InChIKeyAXEZHSVMGZEJAT-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.81
Rot. Bonds2

About ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate

ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate (PubChem CID 156862452) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
PubChem CID156862452
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Nameethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
SMILESCCOC(=O)C1Cc2ncc(F)c(C)c2C1
InChIInChI=1S/C12H14FNO2/c1-3-16-12(15)8-4-9-7(2)10(13)6-14-11(9)5-8/h6,8H,3-5H2,1-2H3
InChIKeyAXEZHSVMGZEJAT-UHFFFAOYSA-N
XLogP1.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate (CID 156862452) is ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate is CCOC(=O)C1Cc2ncc(F)c(C)c2C1.
What is the InChIKey of ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
The InChIKey is AXEZHSVMGZEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-3-16-12(15)8-4-9-7(2)10(13)6-14-11(9)5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate is sourced from PubChem (CID 156862452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).