(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate

C11H9NO6 — CID 56949258

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate
SMILESCc1oc(=O)oc1COC(=O)Oc1ccccn1
InChIInChI=1S/C11H9NO6/c1-7-8(17-11(14)16-7)6-15-10(13)18-9-4-2-3-5-12-9/h2-5H,6H2,1H3
InChIKeyQLTMZAIPPISLGA-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.65
Rot. Bonds3

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate (PubChem CID 56949258) has the molecular formula C11H9NO6 and a molecular weight of 251.19 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate
PubChem CID56949258
Molecular FormulaC11H9NO6
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate
SMILESCc1oc(=O)oc1COC(=O)Oc1ccccn1
InChIInChI=1S/C11H9NO6/c1-7-8(17-11(14)16-7)6-15-10(13)18-9-4-2-3-5-12-9/h2-5H,6H2,1H3
InChIKeyQLTMZAIPPISLGA-UHFFFAOYSA-N
XLogP1.65
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methoxypyridine
CID 74201
2-Ethoxypyridine
CID 84499
Allyl 2-pyridyl ether
CID 79906
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709
Butyl 2-pyridyl ether
CID 95701
2-(2-Pyridyloxy)ethyl(dimethyl)amine
CID 96499
2-Ethoxypyridine-5-boronic Acid
CID 12012237
Pyridine, 2-methoxy-5-methyl-
CID 3014746
5-Iodo-2-methoxypyridine
CID 23423786
Carbonic acid di-2-pyridyl ester
CID 2757370
2,3-Dimethoxypyridine
CID 4657809

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate (CID 56949258) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate is Cc1oc(=O)oc1COC(=O)Oc1ccccn1.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate?
The InChIKey is QLTMZAIPPISLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6/c1-7-8(17-11(14)16-7)6-15-10(13)18-9-4-2-3-5-12-9/h2-5H,6H2,1H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate has a molecular weight of 251.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate is sourced from PubChem (CID 56949258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).