2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde

C9H12N2O2 — CID 178110907

IUPAC2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde
SMILESCNc1nccc(C)c1OCC=O
InChIInChI=1S/C9H12N2O2/c1-7-3-4-11-9(10-2)8(7)13-6-5-12/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyOHHRAEVZIJKEAQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.01
Rot. Bonds4

About 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde

2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde (PubChem CID 178110907) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde.

Molecular Properties

Compound Name2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde
PubChem CID178110907
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde
SMILESCNc1nccc(C)c1OCC=O
InChIInChI=1S/C9H12N2O2/c1-7-3-4-11-9(10-2)8(7)13-6-5-12/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyOHHRAEVZIJKEAQ-UHFFFAOYSA-N
XLogP1.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(methylamino)pyridin-3-ol
CID 145443368
6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde
CID 143875760
N,7-dimethylisoquinolin-1-amine
CID 59108894
3-[[2-(methylamino)-3-pyridinyl]oxy]propanal
CID 146201271
2-chloro-4-methyl-3-prop-2-enoxypyridine
CID 126996190
2-(4-fluoro-2,6-dimethylphenoxy)acetaldehyde
CID 23176648
methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
CID 170744662
2-(4-methylquinolin-6-yl)acetaldehyde
CID 83876531
ethane;2-[2-(methylamino)phenoxy]acetaldehyde
CID 142381629
2-isoquinolin-1-yloxyacetaldehyde
CID 45091417
3-ethoxy-4-methyl-N-(6-methyl-2-pyridinyl)pyridin-2-amine
CID 11356950
2-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 146298865

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde?
The IUPAC name of 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde (CID 178110907) is 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde.
What is the SMILES notation for 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde?
The canonical SMILES for 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde is CNc1nccc(C)c1OCC=O.
What is the InChIKey of 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde?
The InChIKey is OHHRAEVZIJKEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-3-4-11-9(10-2)8(7)13-6-5-12/h3-5H,6H2,1-2H3,(H,10,11).
What are the key properties of 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde?
2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde has a molecular weight of 180.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde is sourced from PubChem (CID 178110907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).