2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid

C9H8FN3O3 — CID 171497141

IUPAC2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)CN1Cc2c(F)cncc2NC1=O
InChIInChI=1S/C9H8FN3O3/c10-6-1-11-2-7-5(6)3-13(4-8(14)15)9(16)12-7/h1-2H,3-4H2,(H,12,16)(H,14,15)
InChIKeyWWCBCMWZUPPKRV-UHFFFAOYSA-N
MW225.18 g/mol
LogP0.65
Rot. Bonds2

About 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid

2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid (PubChem CID 171497141) has the molecular formula C9H8FN3O3 and a molecular weight of 225.18 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid
PubChem CID171497141
Molecular FormulaC9H8FN3O3
Molecular Weight225.18 g/mol
Exact Mass225.05
IUPAC Name2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)CN1Cc2c(F)cncc2NC1=O
InChIInChI=1S/C9H8FN3O3/c10-6-1-11-2-7-5(6)3-13(4-8(14)15)9(16)12-7/h1-2H,3-4H2,(H,12,16)(H,14,15)
InChIKeyWWCBCMWZUPPKRV-UHFFFAOYSA-N
XLogP0.65
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid (CID 171497141) is 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid is O=C(O)CN1Cc2c(F)cncc2NC1=O.
What is the InChIKey of 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid?
The InChIKey is WWCBCMWZUPPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3/c10-6-1-11-2-7-5(6)3-13(4-8(14)15)9(16)12-7/h1-2H,3-4H2,(H,12,16)(H,14,15).
What are the key properties of 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid?
2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid has a molecular weight of 225.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 171497141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).