6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid

C6H7NO3 — CID 70598430

IUPAC6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid
SMILESO=C1C=CC(C(=O)O)CN1
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-2,4H,3H2,(H,7,8)(H,9,10)
InChIKeySNRSYQLJDNNORV-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.63
Rot. Bonds1

About 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid

6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid (PubChem CID 70598430) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid
PubChem CID70598430
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid
SMILESO=C1C=CC(C(=O)O)CN1
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-2,4H,3H2,(H,7,8)(H,9,10)
InChIKeySNRSYQLJDNNORV-UHFFFAOYSA-N
XLogP-0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid (CID 70598430) is 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid is O=C1C=CC(C(=O)O)CN1.
What is the InChIKey of 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid?
The InChIKey is SNRSYQLJDNNORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-2,4H,3H2,(H,7,8)(H,9,10).
What are the key properties of 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid?
6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2,3-dihydro-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 70598430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).