6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid

C11H9N3O3 — CID 55108744

IUPAC6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ncccn2)c1
InChIInChI=1S/C11H9N3O3/c15-10-3-2-8(11(16)17)6-14(10)7-9-12-4-1-5-13-9/h1-6H,7H2,(H,16,17)
InChIKeyZNOUNKZNVUPRDG-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.38
Rot. Bonds3

About 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid

6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 55108744) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
PubChem CID55108744
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ncccn2)c1
InChIInChI=1S/C11H9N3O3/c15-10-3-2-8(11(16)17)6-14(10)7-9-12-4-1-5-13-9/h1-6H,7H2,(H,16,17)
InChIKeyZNOUNKZNVUPRDG-UHFFFAOYSA-N
XLogP0.38
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one
CID 53517027
Methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate
CID 162402865
1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72902005
1,4,6-Trimethyl-2-oxo-5-pyrimidin-2-ylpyridine-3-carboxylic acid
CID 20267846
6-methyl-2-oxo-5-pyrimidin-2-yl-1H-pyridine-3-carboxylic acid
CID 20267891
1-Pyrimidin-2-yl-1,2,3,6-tetrahydropyridine-4-carboxylic acid
CID 21904730
1,4,6-Trimethyl-5-pyrimidin-2-ylpyridin-2-one
CID 23318774
1,6-Dimethyl-5-pyrimidin-2-ylpyridin-2-one
CID 23318802
4-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 68106569
1-(Pyrimidin-2-ylmethyl)pyridin-2-one
CID 116618457
(3Z,5Z)-4-methyl-7-pyrimidin-2-ylocta-3,5,7-trienoic acid
CID 118147446
2-Ethylidene-3-pyrimidin-2-ylpent-3-enoic acid
CID 123493139

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid (CID 55108744) is 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ncccn2)c1.
What is the InChIKey of 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is ZNOUNKZNVUPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10-3-2-8(11(16)17)6-14(10)7-9-12-4-1-5-13-9/h1-6H,7H2,(H,16,17).
What are the key properties of 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55108744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).