2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid

C11H10N2O3 — CID 70504716

IUPAC2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid
SMILESCc1ccc(CC(=O)O)c2nccc(=O)n12
InChIInChI=1S/C11H10N2O3/c1-7-2-3-8(6-10(15)16)11-12-5-4-9(14)13(7)11/h2-5H,6H2,1H3,(H,15,16)
InChIKeyDJVCUKSJCYSYCJ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.63
Rot. Bonds2

About 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid

2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid (PubChem CID 70504716) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid
PubChem CID70504716
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid
SMILESCc1ccc(CC(=O)O)c2nccc(=O)n12
InChIInChI=1S/C11H10N2O3/c1-7-2-3-8(6-10(15)16)11-12-5-4-9(14)13(7)11/h2-5H,6H2,1H3,(H,15,16)
InChIKeyDJVCUKSJCYSYCJ-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The IUPAC name of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid (CID 70504716) is 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid is Cc1ccc(CC(=O)O)c2nccc(=O)n12.
What is the InChIKey of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The InChIKey is DJVCUKSJCYSYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-2-3-8(6-10(15)16)11-12-5-4-9(14)13(7)11/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid?
2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)acetic acid is sourced from PubChem (CID 70504716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).