2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

C15H10N2O4 — CID 54309538

IUPAC2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=Cc3ccco3)cc(=O)n2c1
InChIInChI=1S/C15H10N2O4/c18-14-8-11(4-5-12-2-1-7-21-12)16-13-6-3-10(15(19)20)9-17(13)14/h1-9H,(H,19,20)
InChIKeySJXVTWFPEXDQRZ-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 54309538) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID54309538
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=Cc3ccco3)cc(=O)n2c1
InChIInChI=1S/C15H10N2O4/c18-14-8-11(4-5-12-2-1-7-21-12)16-13-6-3-10(15(19)20)9-17(13)14/h1-9H,(H,19,20)
InChIKeySJXVTWFPEXDQRZ-UHFFFAOYSA-N
XLogP2.16
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 54309538) is 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is O=C(O)c1ccc2nc(C=Cc3ccco3)cc(=O)n2c1.
What is the InChIKey of 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is SJXVTWFPEXDQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-14-8-11(4-5-12-2-1-7-21-12)16-13-6-3-10(15(19)20)9-17(13)14/h1-9H,(H,19,20).
What are the key properties of 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 282.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 54309538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).