2-(diethoxymethyl)-3-methoxypyridine

C11H17NO3 — CID 121221666

IUPAC2-(diethoxymethyl)-3-methoxypyridine
SMILESCCOC(OCC)c1ncccc1OC
InChIInChI=1S/C11H17NO3/c1-4-14-11(15-5-2)10-9(13-3)7-6-8-12-10/h6-8,11H,4-5H2,1-3H3
InChIKeyGWXPLVRBMXGDFG-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.16
Rot. Bonds6

About 2-(diethoxymethyl)-3-methoxypyridine

2-(diethoxymethyl)-3-methoxypyridine (PubChem CID 121221666) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(diethoxymethyl)-3-methoxypyridine.

Molecular Properties

Compound Name2-(diethoxymethyl)-3-methoxypyridine
PubChem CID121221666
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(diethoxymethyl)-3-methoxypyridine
SMILESCCOC(OCC)c1ncccc1OC
InChIInChI=1S/C11H17NO3/c1-4-14-11(15-5-2)10-9(13-3)7-6-8-12-10/h6-8,11H,4-5H2,1-3H3
InChIKeyGWXPLVRBMXGDFG-UHFFFAOYSA-N
XLogP2.16
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(dichloromethyl)-3-methoxypyridine
CID 141354456
2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
CID 114053788
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
3-ethoxy-N-ethyl-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 114054018
1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 114054565
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114053900
2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053743
N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-3-methoxypyridine?
The IUPAC name of 2-(diethoxymethyl)-3-methoxypyridine (CID 121221666) is 2-(diethoxymethyl)-3-methoxypyridine.
What is the SMILES notation for 2-(diethoxymethyl)-3-methoxypyridine?
The canonical SMILES for 2-(diethoxymethyl)-3-methoxypyridine is CCOC(OCC)c1ncccc1OC.
What is the InChIKey of 2-(diethoxymethyl)-3-methoxypyridine?
The InChIKey is GWXPLVRBMXGDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-14-11(15-5-2)10-9(13-3)7-6-8-12-10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 2-(diethoxymethyl)-3-methoxypyridine?
2-(diethoxymethyl)-3-methoxypyridine has a molecular weight of 211.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-3-methoxypyridine is sourced from PubChem (CID 121221666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).