3-(2,2-dimethoxyethyl)pyridine

C9H13NO2 — CID 118705230

IUPAC3-(2,2-dimethoxyethyl)pyridine
SMILESCOC(Cc1cccnc1)OC
InChIInChI=1S/C9H13NO2/c1-11-9(12-2)6-8-4-3-5-10-7-8/h3-5,7,9H,6H2,1-2H3
InChIKeyNXHBEHNTQFYIKH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds4

About 3-(2,2-dimethoxyethyl)pyridine

3-(2,2-dimethoxyethyl)pyridine (PubChem CID 118705230) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)pyridine.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)pyridine
PubChem CID118705230
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2,2-dimethoxyethyl)pyridine
SMILESCOC(Cc1cccnc1)OC
InChIInChI=1S/C9H13NO2/c1-11-9(12-2)6-8-4-3-5-10-7-8/h3-5,7,9H,6H2,1-2H3
InChIKeyNXHBEHNTQFYIKH-UHFFFAOYSA-N
XLogP1.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
(3-methoxy-1-pyridin-3-ylpentan-2-yl)hydrazine
CID 105270707
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
3-ethylpyridine
CID 10823
(1-methoxy-1-phenyl-3-pyridin-3-ylpropan-2-yl)hydrazine
CID 105279082
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol
CID 104735758
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
3-(pyridin-3-ylmethyl)pyridine
CID 14762640

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)pyridine?
The IUPAC name of 3-(2,2-dimethoxyethyl)pyridine (CID 118705230) is 3-(2,2-dimethoxyethyl)pyridine.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)pyridine?
The canonical SMILES for 3-(2,2-dimethoxyethyl)pyridine is COC(Cc1cccnc1)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)pyridine?
The InChIKey is NXHBEHNTQFYIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-9(12-2)6-8-4-3-5-10-7-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethyl)pyridine?
3-(2,2-dimethoxyethyl)pyridine has a molecular weight of 167.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)pyridine is sourced from PubChem (CID 118705230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).