6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde

C9H10N2O3 — CID 143875760

IUPAC6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde
SMILESCNc1nc(C=O)ccc1OCC=O
InChIInChI=1S/C9H10N2O3/c1-10-9-8(14-5-4-12)3-2-7(6-13)11-9/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyQCNMRTHWMIIZOW-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.51
Rot. Bonds5

About 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde

6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde (PubChem CID 143875760) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde
PubChem CID143875760
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde
SMILESCNc1nc(C=O)ccc1OCC=O
InChIInChI=1S/C9H10N2O3/c1-10-9-8(14-5-4-12)3-2-7(6-13)11-9/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyQCNMRTHWMIIZOW-UHFFFAOYSA-N
XLogP0.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde (CID 143875760) is 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde is CNc1nc(C=O)ccc1OCC=O.
What is the InChIKey of 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde?
The InChIKey is QCNMRTHWMIIZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-9-8(14-5-4-12)3-2-7(6-13)11-9/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde?
6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde has a molecular weight of 194.19 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 143875760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).