5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

C13H8N4O3 — CID 21497102

IUPAC5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc(-c3ccncc3)ncc2c1=O
InChIInChI=1S/C13H8N4O3/c18-10-8-5-15-11(7-1-3-14-4-2-7)17-12(8)16-6-9(10)13(19)20/h1-6H,(H,19,20)(H,15,16,17,18)
InChIKeyQAGCRWLIVRVUKF-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.08
Rot. Bonds2

About 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 21497102) has the molecular formula C13H8N4O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID21497102
Molecular FormulaC13H8N4O3
Molecular Weight268.23 g/mol
Exact Mass268.06
IUPAC Name5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc(-c3ccncc3)ncc2c1=O
InChIInChI=1S/C13H8N4O3/c18-10-8-5-15-11(7-1-3-14-4-2-7)17-12(8)16-6-9(10)13(19)20/h1-6H,(H,19,20)(H,15,16,17,18)
InChIKeyQAGCRWLIVRVUKF-UHFFFAOYSA-N
XLogP1.08
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 21497102) is 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1c[nH]c2nc(-c3ccncc3)ncc2c1=O.
What is the InChIKey of 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is QAGCRWLIVRVUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O3/c18-10-8-5-15-11(7-1-3-14-4-2-7)17-12(8)16-6-9(10)13(19)20/h1-6H,(H,19,20)(H,15,16,17,18).
What are the key properties of 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 21497102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).