(2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid

C11H10N2O3 — CID 139231813

IUPAC(2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid
SMILESCC1=CC=CC2=NC(=O)/C(=C\C(=O)O)CN12
InChIInChI=1S/C11H10N2O3/c1-7-3-2-4-9-12-11(16)8(5-10(14)15)6-13(7)9/h2-5H,6H2,1H3,(H,14,15)/b8-5-
InChIKeyUJCLZAKFPAXKHU-YVMONPNESA-N
MW218.21 g/mol
LogP0.71
Rot. Bonds1

About (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid

(2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid (PubChem CID 139231813) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid
PubChem CID139231813
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid
SMILESCC1=CC=CC2=NC(=O)/C(=C\C(=O)O)CN12
InChIInChI=1S/C11H10N2O3/c1-7-3-2-4-9-12-11(16)8(5-10(14)15)6-13(7)9/h2-5H,6H2,1H3,(H,14,15)/b8-5-
InChIKeyUJCLZAKFPAXKHU-YVMONPNESA-N
XLogP0.71
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid (CID 139231813) is (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid is CC1=CC=CC2=NC(=O)/C(=C\C(=O)O)CN12.
What is the InChIKey of (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid?
The InChIKey is UJCLZAKFPAXKHU-YVMONPNESA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-3-2-4-9-12-11(16)8(5-10(14)15)6-13(7)9/h2-5H,6H2,1H3,(H,14,15)/b8-5-.
What are the key properties of (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid?
(2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-methyl-2-oxo-4H-pyrido[1,2-a]pyrimidin-3-ylidene)acetic acid is sourced from PubChem (CID 139231813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).