dipyridin-2-yl carbonate

C11H8N2O3 — CID 2757370

IUPACdipyridin-2-yl carbonate
SMILESO=C(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C11H8N2O3/c14-11(15-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H
InChIKeyGCSAXWHQFYOIFE-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.05
Rot. Bonds2

About dipyridin-2-yl carbonate

dipyridin-2-yl carbonate (PubChem CID 2757370) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is dipyridin-2-yl carbonate.

Molecular Properties

Compound Namedipyridin-2-yl carbonate
PubChem CID2757370
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Namedipyridin-2-yl carbonate
SMILESO=C(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C11H8N2O3/c14-11(15-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H
InChIKeyGCSAXWHQFYOIFE-UHFFFAOYSA-N
XLogP2.05
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-yl N-phenylcarbamate
CID 4689975
[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
CID 90132201
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
formic acid;pyridin-2-yl acetate
CID 174913305
2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate
CID 73294493
pyridin-2-yl (E)-3-phenylprop-2-enoate
CID 10537171
pyridin-2-yl 1H-1,2,4-triazole-5-carboxylate
CID 150232727
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447
dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 67291878
pyridin-2-yl ethaneperoxoate
CID 87694158
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate
CID 56949258
pyridin-2-yl N-(2-methylphenyl)carbamate
CID 5062913

Frequently Asked Questions

What is the IUPAC name of dipyridin-2-yl carbonate?
The IUPAC name of dipyridin-2-yl carbonate (CID 2757370) is dipyridin-2-yl carbonate.
What is the SMILES notation for dipyridin-2-yl carbonate?
The canonical SMILES for dipyridin-2-yl carbonate is O=C(Oc1ccccn1)Oc1ccccn1.
What is the InChIKey of dipyridin-2-yl carbonate?
The InChIKey is GCSAXWHQFYOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11(15-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H.
What are the key properties of dipyridin-2-yl carbonate?
dipyridin-2-yl carbonate has a molecular weight of 216.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipyridin-2-yl carbonate is sourced from PubChem (CID 2757370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).