2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid

C11H9N3O3 — CID 170993532

IUPAC2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2cncnc2)c1=O
InChIInChI=1S/C11H9N3O3/c15-10-9(11(16)17)2-1-3-14(10)6-8-4-12-7-13-5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyRJJDJSSQILFTFK-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.38
Rot. Bonds3

About 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid

2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 170993532) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid
PubChem CID170993532
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2cncnc2)c1=O
InChIInChI=1S/C11H9N3O3/c15-10-9(11(16)17)2-1-3-14(10)6-8-4-12-7-13-5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyRJJDJSSQILFTFK-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

2-oxo-1-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxylic acid
CID 67476045
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423
1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
CID 22498647
2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 2763481
2-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 114333958
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
2-(pyrimidin-5-ylmethylamino)benzoic acid
CID 62758765
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
1-[(1-ethylpyrazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017900
1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid
CID 55098640

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid (CID 170993532) is 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid is O=C(O)c1cccn(Cc2cncnc2)c1=O.
What is the InChIKey of 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is RJJDJSSQILFTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10-9(11(16)17)2-1-3-14(10)6-8-4-12-7-13-5-8/h1-5,7H,6H2,(H,16,17).
What are the key properties of 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid?
2-oxo-1-(pyrimidin-5-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 2-oxo-1-(pyrimidin-5-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170993532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).