3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C11H10N2O3 — CID 22308053

IUPAC3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2ccccn2c1=O
InChIInChI=1S/C11H10N2O3/c1-2-7-9(11(15)16)12-8-5-3-4-6-13(8)10(7)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeySDHKIAJHUFFUOV-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.96
Rot. Bonds2

About 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 22308053) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID22308053
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2ccccn2c1=O
InChIInChI=1S/C11H10N2O3/c1-2-7-9(11(15)16)12-8-5-3-4-6-13(8)10(7)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeySDHKIAJHUFFUOV-UHFFFAOYSA-N
XLogP0.96
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 22308053) is 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is CCc1c(C(=O)O)nc2ccccn2c1=O.
What is the InChIKey of 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is SDHKIAJHUFFUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-7-9(11(15)16)12-8-5-3-4-6-13(8)10(7)14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 22308053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).