cyclopentyl pyridine-4-carboxylate

C11H13NO2 — CID 533056

IUPACcyclopentyl pyridine-4-carboxylate
SMILESO=C(OC1CCCC1)c1ccncc1
InChIInChI=1S/C11H13NO2/c13-11(9-5-7-12-8-6-9)14-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyQPUNDERDSYMSEX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.18
Rot. Bonds2

About cyclopentyl pyridine-4-carboxylate

cyclopentyl pyridine-4-carboxylate (PubChem CID 533056) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is cyclopentyl pyridine-4-carboxylate.

Molecular Properties

Compound Namecyclopentyl pyridine-4-carboxylate
PubChem CID533056
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namecyclopentyl pyridine-4-carboxylate
SMILESO=C(OC1CCCC1)c1ccncc1
InChIInChI=1S/C11H13NO2/c13-11(9-5-7-12-8-6-9)14-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyQPUNDERDSYMSEX-UHFFFAOYSA-N
XLogP2.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl pyridine-4-carboxylate?
The IUPAC name of cyclopentyl pyridine-4-carboxylate (CID 533056) is cyclopentyl pyridine-4-carboxylate.
What is the SMILES notation for cyclopentyl pyridine-4-carboxylate?
The canonical SMILES for cyclopentyl pyridine-4-carboxylate is O=C(OC1CCCC1)c1ccncc1.
What is the InChIKey of cyclopentyl pyridine-4-carboxylate?
The InChIKey is QPUNDERDSYMSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(9-5-7-12-8-6-9)14-10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of cyclopentyl pyridine-4-carboxylate?
cyclopentyl pyridine-4-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl pyridine-4-carboxylate is sourced from PubChem (CID 533056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).