methyl pyridin-2-yl carbonate

C7H7NO3 — CID 10820757

IUPACmethyl pyridin-2-yl carbonate
SMILESCOC(=O)Oc1ccccn1
InChIInChI=1S/C7H7NO3/c1-10-7(9)11-6-4-2-3-5-8-6/h2-5H,1H3
InChIKeyFRQKWMCJHIZQHF-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.23
Rot. Bonds1

About methyl pyridin-2-yl carbonate

methyl pyridin-2-yl carbonate (PubChem CID 10820757) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is methyl pyridin-2-yl carbonate.

Molecular Properties

Compound Namemethyl pyridin-2-yl carbonate
PubChem CID10820757
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Namemethyl pyridin-2-yl carbonate
SMILESCOC(=O)Oc1ccccn1
InChIInChI=1S/C7H7NO3/c1-10-7(9)11-6-4-2-3-5-8-6/h2-5H,1H3
InChIKeyFRQKWMCJHIZQHF-UHFFFAOYSA-N
XLogP1.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl pyridin-2-yl carbonate?
The IUPAC name of methyl pyridin-2-yl carbonate (CID 10820757) is methyl pyridin-2-yl carbonate.
What is the SMILES notation for methyl pyridin-2-yl carbonate?
The canonical SMILES for methyl pyridin-2-yl carbonate is COC(=O)Oc1ccccn1.
What is the InChIKey of methyl pyridin-2-yl carbonate?
The InChIKey is FRQKWMCJHIZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-10-7(9)11-6-4-2-3-5-8-6/h2-5H,1H3.
What are the key properties of methyl pyridin-2-yl carbonate?
methyl pyridin-2-yl carbonate has a molecular weight of 153.14 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyridin-2-yl carbonate is sourced from PubChem (CID 10820757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).