5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

C6H5NO3 — CID 133056008

IUPAC5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(O)c[nH]c1=O
InChIInChI=1S/C6H5NO3/c8-3-4-1-5(9)2-7-6(4)10/h1-3,9H,(H,7,10)
InChIKeyGTMKDFIPZDROCE-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.11
Rot. Bonds1

About 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 133056008) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID133056008
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(O)c[nH]c1=O
InChIInChI=1S/C6H5NO3/c8-3-4-1-5(9)2-7-6(4)10/h1-3,9H,(H,7,10)
InChIKeyGTMKDFIPZDROCE-UHFFFAOYSA-N
XLogP-0.11
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-2-oxo-1H-pyridine-3-carbaldehyde
CID 134183472
5-(2,6-dichlorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 133092727
3-(1-aminoethyl)-5-hydroxy-1H-pyridin-2-one
CID 133060755
ethane;4-hydroxyphthalaldehyde
CID 90973394
7-bromo-5-hydroxy-1H-indole-3-carbaldehyde
CID 123309873
6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 45083786
4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
CID 130781614
3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enal
CID 169458878
5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169453100
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
CID 137203197
2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde
CID 98012839
5-hydroxy-2-propan-2-ylbenzaldehyde
CID 20673581

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 133056008) is 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(O)c[nH]c1=O.
What is the InChIKey of 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is GTMKDFIPZDROCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-3-4-1-5(9)2-7-6(4)10/h1-3,9H,(H,7,10).
What are the key properties of 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 139.11 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 133056008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).