methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate

C16H17NO5 — CID 23167499

IUPACmethyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
SMILESCCCOc1ccccc1-c1ccc(OC(=O)OC)c(=O)[nH]1
InChIInChI=1S/C16H17NO5/c1-3-10-21-13-7-5-4-6-11(13)12-8-9-14(15(18)17-12)22-16(19)20-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyRIXTVTRGUQTUPB-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.98
Rot. Bonds5

About methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate

methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate (PubChem CID 23167499) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate.

Molecular Properties

Compound Namemethyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
PubChem CID23167499
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
SMILESCCCOc1ccccc1-c1ccc(OC(=O)OC)c(=O)[nH]1
InChIInChI=1S/C16H17NO5/c1-3-10-21-13-7-5-4-6-11(13)12-8-9-14(15(18)17-12)22-16(19)20-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyRIXTVTRGUQTUPB-UHFFFAOYSA-N
XLogP2.98
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
CID 19872769
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one
CID 82518878
6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521585
5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
CID 82445862
2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518702
3-(5-cyano-6-oxo-1H-pyridin-2-yl)-N,N-dimethyl-4-propoxybenzamide
CID 12968693
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
(2-iodophenyl) methyl carbonate
CID 102340361
3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 22325515
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702

Frequently Asked Questions

What is the IUPAC name of methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate?
The IUPAC name of methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate (CID 23167499) is methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate.
What is the SMILES notation for methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate?
The canonical SMILES for methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate is CCCOc1ccccc1-c1ccc(OC(=O)OC)c(=O)[nH]1.
What is the InChIKey of methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate?
The InChIKey is RIXTVTRGUQTUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-3-10-21-13-7-5-4-6-11(13)12-8-9-14(15(18)17-12)22-16(19)20-2/h4-9H,3,10H2,1-2H3,(H,17,18).
What are the key properties of methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate?
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate has a molecular weight of 303.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate is sourced from PubChem (CID 23167499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).