pyridin-2-ylmethyl cyclohexanecarboxylate

C13H17NO2 — CID 15527486

IUPACpyridin-2-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCc1ccccn1)C1CCCCC1
InChIInChI=1S/C13H17NO2/c15-13(11-6-2-1-3-7-11)16-10-12-8-4-5-9-14-12/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyICUYOGOBZJFCJV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.71
Rot. Bonds3

About pyridin-2-ylmethyl cyclohexanecarboxylate

pyridin-2-ylmethyl cyclohexanecarboxylate (PubChem CID 15527486) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is pyridin-2-ylmethyl cyclohexanecarboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl cyclohexanecarboxylate
PubChem CID15527486
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepyridin-2-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCc1ccccn1)C1CCCCC1
InChIInChI=1S/C13H17NO2/c15-13(11-6-2-1-3-7-11)16-10-12-8-4-5-9-14-12/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyICUYOGOBZJFCJV-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl cyclohexanecarboxylate?
The IUPAC name of pyridin-2-ylmethyl cyclohexanecarboxylate (CID 15527486) is pyridin-2-ylmethyl cyclohexanecarboxylate.
What is the SMILES notation for pyridin-2-ylmethyl cyclohexanecarboxylate?
The canonical SMILES for pyridin-2-ylmethyl cyclohexanecarboxylate is O=C(OCc1ccccn1)C1CCCCC1.
What is the InChIKey of pyridin-2-ylmethyl cyclohexanecarboxylate?
The InChIKey is ICUYOGOBZJFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(11-6-2-1-3-7-11)16-10-12-8-4-5-9-14-12/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of pyridin-2-ylmethyl cyclohexanecarboxylate?
pyridin-2-ylmethyl cyclohexanecarboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl cyclohexanecarboxylate is sourced from PubChem (CID 15527486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).