6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde

C7H7NO3 — CID 45083786

IUPAC6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1cc(=O)c(C=O)c[nH]1
InChIInChI=1S/C7H7NO3/c1-11-7-2-6(10)5(4-9)3-8-7/h2-4H,1H3,(H,8,10)
InChIKeyHDKRZFWBXKCGPX-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.20
Rot. Bonds2

About 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde

6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 45083786) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde
PubChem CID45083786
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1cc(=O)c(C=O)c[nH]1
InChIInChI=1S/C7H7NO3/c1-11-7-2-6(10)5(4-9)3-8-7/h2-4H,1H3,(H,8,10)
InChIKeyHDKRZFWBXKCGPX-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 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde (CID 45083786) is 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde is COc1cc(=O)c(C=O)c[nH]1.
What is the InChIKey of 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is HDKRZFWBXKCGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-7-2-6(10)5(4-9)3-8-7/h2-4H,1H3,(H,8,10).
What are the key properties of 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde?
6-methoxy-4-oxo-1H-pyridine-3-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 6-methoxy-4-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 45083786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).