1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C14H22BNO4 — CID 66706462

IUPAC1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCOCCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C14H22BNO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(17)16(10-11)8-9-18-5/h6-7,10H,8-9H2,1-5H3
InChIKeyRHNJGJHDXQTXFP-UHFFFAOYSA-N
MW279.14 g/mol
LogP0.79
Rot. Bonds4

About 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 66706462) has the molecular formula C14H22BNO4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID66706462
Molecular FormulaC14H22BNO4
Molecular Weight279.14 g/mol
Exact Mass279.16
IUPAC Name1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCOCCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C14H22BNO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(17)16(10-11)8-9-18-5/h6-7,10H,8-9H2,1-5H3
InChIKeyRHNJGJHDXQTXFP-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 66706462) is 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is COCCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is RHNJGJHDXQTXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BNO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(17)16(10-11)8-9-18-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 279.14 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 66706462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).