6-oxo-1H-pyridine-2-carbaldehyde

C6H5NO2 — CID 22018813

IUPAC6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cccc(=O)[nH]1
InChIInChI=1S/C6H5NO2/c8-4-5-2-1-3-6(9)7-5/h1-4H,(H,7,9)
InChIKeyKRZYMTAWRSVBPH-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.19
Rot. Bonds1

About 6-oxo-1H-pyridine-2-carbaldehyde

6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 22018813) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID22018813
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cccc(=O)[nH]1
InChIInChI=1S/C6H5NO2/c8-4-5-2-1-3-6(9)7-5/h1-4H,(H,7,9)
InChIKeyKRZYMTAWRSVBPH-UHFFFAOYSA-N
XLogP0.19
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-6-oxo-1,6-dihydropyridine-2-carbaldehyde
CID 105428182
5-Fluoro-6-hydroxypicolinaldehyde
CID 123319896
4-Fluoro-6-hydroxypicolinaldehyde
CID 72215444
6-Hydroxypicolinamide
CID 18327802
5-Chloro-6-hydroxypyridine-2-carbaldehyde
CID 72212814
4-Bromo-6-hydroxypyridine-2-carbaldehyde
CID 72215454
6-ethenyl-1H-pyridin-2-one
CID 74892727
3-Bromo-6-oxo-1,6-dihydropyridine-2-carbaldehyde
CID 77231205
3-Chloro-1,6-dihydro-6-oxo-2-pyridinecarboxaldehyde
CID 82596019
N-[(Z)-1-oxobut-2-en-2-yl]acetamide
CID 89139550
N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide
CID 123270966
N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide
CID 137398769

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-oxo-1H-pyridine-2-carbaldehyde (CID 22018813) is 6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is KRZYMTAWRSVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-4-5-2-1-3-6(9)7-5/h1-4H,(H,7,9).
What are the key properties of 6-oxo-1H-pyridine-2-carbaldehyde?
6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 123.11 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 22018813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).