1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid

C8H7NO5 — CID 46868558

IUPAC1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C8H7NO5/c10-6-2-1-5(8(13)14)3-9(6)4-7(11)12/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyUZZTVORBQCDSNQ-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.37
Rot. Bonds3

About 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid

1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 46868558) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid
PubChem CID46868558
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C8H7NO5/c10-6-2-1-5(8(13)14)3-9(6)4-7(11)12/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyUZZTVORBQCDSNQ-UHFFFAOYSA-N
XLogP-0.37
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid (CID 46868558) is 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid is O=C(O)Cn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is UZZTVORBQCDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c10-6-2-1-5(8(13)14)3-9(6)4-7(11)12/h1-3H,4H2,(H,11,12)(H,13,14).
What are the key properties of 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid?
1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 197.15 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 46868558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).