2-(5-formylpyrimidin-2-yl)oxybenzamide

C12H9N3O3 — CID 113387686

IUPAC2-(5-formylpyrimidin-2-yl)oxybenzamide
SMILESNC(=O)c1ccccc1Oc1ncc(C=O)cn1
InChIInChI=1S/C12H9N3O3/c13-11(17)9-3-1-2-4-10(9)18-12-14-5-8(7-16)6-15-12/h1-7H,(H2,13,17)
InChIKeyPFIZIIRQTXGUQY-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.18
Rot. Bonds4

About 2-(5-formylpyrimidin-2-yl)oxybenzamide

2-(5-formylpyrimidin-2-yl)oxybenzamide (PubChem CID 113387686) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(5-formylpyrimidin-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-(5-formylpyrimidin-2-yl)oxybenzamide
PubChem CID113387686
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-(5-formylpyrimidin-2-yl)oxybenzamide
SMILESNC(=O)c1ccccc1Oc1ncc(C=O)cn1
InChIInChI=1S/C12H9N3O3/c13-11(17)9-3-1-2-4-10(9)18-12-14-5-8(7-16)6-15-12/h1-7H,(H2,13,17)
InChIKeyPFIZIIRQTXGUQY-UHFFFAOYSA-N
XLogP1.18
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-iodopyrimidin-2-yl)oxybenzamide
CID 116649139
2-(2-oxoethoxy)benzamide
CID 21273663
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-(5-bromo-2-formylphenoxy)benzamide
CID 43364679
2-(3-aminoquinolin-4-yl)oxybenzamide
CID 103963644
2-(1H-1,2,4-triazol-5-yloxy)benzamide
CID 150824646
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylpyrimidin-2-yl)oxybenzamide?
The IUPAC name of 2-(5-formylpyrimidin-2-yl)oxybenzamide (CID 113387686) is 2-(5-formylpyrimidin-2-yl)oxybenzamide.
What is the SMILES notation for 2-(5-formylpyrimidin-2-yl)oxybenzamide?
The canonical SMILES for 2-(5-formylpyrimidin-2-yl)oxybenzamide is NC(=O)c1ccccc1Oc1ncc(C=O)cn1.
What is the InChIKey of 2-(5-formylpyrimidin-2-yl)oxybenzamide?
The InChIKey is PFIZIIRQTXGUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c13-11(17)9-3-1-2-4-10(9)18-12-14-5-8(7-16)6-15-12/h1-7H,(H2,13,17).
What are the key properties of 2-(5-formylpyrimidin-2-yl)oxybenzamide?
2-(5-formylpyrimidin-2-yl)oxybenzamide has a molecular weight of 243.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylpyrimidin-2-yl)oxybenzamide is sourced from PubChem (CID 113387686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).