5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde

C7H7NO3 — CID 15785598

IUPAC5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
SMILESCOc1c[nH]c(C=O)cc1=O
InChIInChI=1S/C7H7NO3/c1-11-7-3-8-5(4-9)2-6(7)10/h2-4H,1H3,(H,8,10)
InChIKeyUVMABDMIQMSWRL-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.20
Rot. Bonds2

About 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde

5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 15785598) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID15785598
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
SMILESCOc1c[nH]c(C=O)cc1=O
InChIInChI=1S/C7H7NO3/c1-11-7-3-8-5(4-9)2-6(7)10/h2-4H,1H3,(H,8,10)
InChIKeyUVMABDMIQMSWRL-UHFFFAOYSA-N
XLogP0.20
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde (CID 15785598) is 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde is COc1c[nH]c(C=O)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is UVMABDMIQMSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-7-3-8-5(4-9)2-6(7)10/h2-4H,1H3,(H,8,10).
What are the key properties of 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 153.14 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 15785598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).