3-[[2-(methylamino)-3-pyridinyl]oxy]propanal

C9H12N2O2 — CID 146201271

IUPAC3-[[2-(methylamino)-3-pyridinyl]oxy]propanal
SMILESCNc1ncccc1OCCC=O
InChIInChI=1S/C9H12N2O2/c1-10-9-8(4-2-5-11-9)13-7-3-6-12/h2,4-6H,3,7H2,1H3,(H,10,11)
InChIKeyFDYCSJVLKHETDI-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds5

About 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal

3-[[2-(methylamino)-3-pyridinyl]oxy]propanal (PubChem CID 146201271) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal.

Molecular Properties

Compound Name3-[[2-(methylamino)-3-pyridinyl]oxy]propanal
PubChem CID146201271
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-[[2-(methylamino)-3-pyridinyl]oxy]propanal
SMILESCNc1ncccc1OCCC=O
InChIInChI=1S/C9H12N2O2/c1-10-9-8(4-2-5-11-9)13-7-3-6-12/h2,4-6H,3,7H2,1H3,(H,10,11)
InChIKeyFDYCSJVLKHETDI-UHFFFAOYSA-N
XLogP1.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396
2-[(2-hydrazinyl-3-pyridinyl)oxy]-N,N-dimethylethanamine
CID 55281550
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
3-quinolin-7-yloxypropanal
CID 107314214
3-[(2-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464422
3-butoxypyridine-2-carbaldehyde
CID 86631140
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
2-[[4-methyl-2-(methylamino)-3-pyridinyl]oxy]acetaldehyde
CID 178110907

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal?
The IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal (CID 146201271) is 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal.
What is the SMILES notation for 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal?
The canonical SMILES for 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal is CNc1ncccc1OCCC=O.
What is the InChIKey of 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal?
The InChIKey is FDYCSJVLKHETDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-9-8(4-2-5-11-9)13-7-3-6-12/h2,4-6H,3,7H2,1H3,(H,10,11).
What are the key properties of 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal?
3-[[2-(methylamino)-3-pyridinyl]oxy]propanal has a molecular weight of 180.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-3-pyridinyl]oxy]propanal is sourced from PubChem (CID 146201271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).