1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid

C13H12N2O4 — CID 82902409

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1cccc(Cn2ccc(C(=O)O)cc2=O)n1
InChIInChI=1S/C13H12N2O4/c1-19-11-4-2-3-10(14-11)8-15-6-5-9(13(17)18)7-12(15)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyFSSWFYGJVHDBOG-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.00
Rot. Bonds4

About 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 82902409) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID82902409
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1cccc(Cn2ccc(C(=O)O)cc2=O)n1
InChIInChI=1S/C13H12N2O4/c1-19-11-4-2-3-10(14-11)8-15-6-5-9(13(17)18)7-12(15)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyFSSWFYGJVHDBOG-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
CID 82898259
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone
CID 79107045
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
CID 115659308
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
CID 79099502
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82903890
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid (CID 82902409) is 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid is COc1cccc(Cn2ccc(C(=O)O)cc2=O)n1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is FSSWFYGJVHDBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-11-4-2-3-10(14-11)8-15-6-5-9(13(17)18)7-12(15)16/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82902409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).