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

C10H8N2O4 — CID 115031785

IUPAC2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C10H8N2O4/c13-7-2-1-3-12-8(14)4-6(5-9(15)16)11-10(7)12/h1-4,13H,5H2,(H,15,16)
InChIKeyPCWYHKVOMUIHCN-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.03
Rot. Bonds2

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

2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid (PubChem CID 115031785) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
PubChem CID115031785
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C10H8N2O4/c13-7-2-1-3-12-8(14)4-6(5-9(15)16)11-10(7)12/h1-4,13H,5H2,(H,15,16)
InChIKeyPCWYHKVOMUIHCN-UHFFFAOYSA-N
XLogP0.03
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
2-[(2,4-difluoroanilino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384872
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79270180
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118760940
9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 135098965
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62820894
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 46805251
2-(aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115044937

Frequently Asked Questions

What is the IUPAC name of 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid (CID 115031785) is 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid is O=C(O)Cc1cc(=O)n2cccc(O)c2n1.
What is the InChIKey of 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid?
The InChIKey is PCWYHKVOMUIHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-7-2-1-3-12-8(14)4-6(5-9(15)16)11-10(7)12/h1-4,13H,5H2,(H,15,16).
What are the key properties of 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid?
2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid has a molecular weight of 220.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 115031785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).