ethyl pyridin-2-yl carbonate

C8H9NO3 — CID 10654633

IUPACethyl pyridin-2-yl carbonate
SMILESCCOC(=O)Oc1ccccn1
InChIInChI=1S/C8H9NO3/c1-2-11-8(10)12-7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyQADHJARMLGZROD-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.62
Rot. Bonds2

About ethyl pyridin-2-yl carbonate

ethyl pyridin-2-yl carbonate (PubChem CID 10654633) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is ethyl pyridin-2-yl carbonate.

Molecular Properties

Compound Nameethyl pyridin-2-yl carbonate
PubChem CID10654633
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Nameethyl pyridin-2-yl carbonate
SMILESCCOC(=O)Oc1ccccn1
InChIInChI=1S/C8H9NO3/c1-2-11-8(10)12-7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyQADHJARMLGZROD-UHFFFAOYSA-N
XLogP1.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl pyridin-2-yl carbonate?
The IUPAC name of ethyl pyridin-2-yl carbonate (CID 10654633) is ethyl pyridin-2-yl carbonate.
What is the SMILES notation for ethyl pyridin-2-yl carbonate?
The canonical SMILES for ethyl pyridin-2-yl carbonate is CCOC(=O)Oc1ccccn1.
What is the InChIKey of ethyl pyridin-2-yl carbonate?
The InChIKey is QADHJARMLGZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-11-8(10)12-7-5-3-4-6-9-7/h3-6H,2H2,1H3.
What are the key properties of ethyl pyridin-2-yl carbonate?
ethyl pyridin-2-yl carbonate has a molecular weight of 167.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyridin-2-yl carbonate is sourced from PubChem (CID 10654633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).