3-(dimethoxymethyl)-5-methoxypyridine

C9H13NO3 — CID 45361740

IUPAC3-(dimethoxymethyl)-5-methoxypyridine
SMILESCOc1cncc(C(OC)OC)c1
InChIInChI=1S/C9H13NO3/c1-11-8-4-7(5-10-6-8)9(12-2)13-3/h4-6,9H,1-3H3
InChIKeyOJTOOZMDVZQFLJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.38
Rot. Bonds4

About 3-(dimethoxymethyl)-5-methoxypyridine

3-(dimethoxymethyl)-5-methoxypyridine (PubChem CID 45361740) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-5-methoxypyridine.

Molecular Properties

Compound Name3-(dimethoxymethyl)-5-methoxypyridine
PubChem CID45361740
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(dimethoxymethyl)-5-methoxypyridine
SMILESCOc1cncc(C(OC)OC)c1
InChIInChI=1S/C9H13NO3/c1-11-8-4-7(5-10-6-8)9(12-2)13-3/h4-6,9H,1-3H3
InChIKeyOJTOOZMDVZQFLJ-UHFFFAOYSA-N
XLogP1.38
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.38
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

[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
[(5-methoxy-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105329816
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
1-(2,6-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025959
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193
[(2-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105191302
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-5-methoxypyridine?
The IUPAC name of 3-(dimethoxymethyl)-5-methoxypyridine (CID 45361740) is 3-(dimethoxymethyl)-5-methoxypyridine.
What is the SMILES notation for 3-(dimethoxymethyl)-5-methoxypyridine?
The canonical SMILES for 3-(dimethoxymethyl)-5-methoxypyridine is COc1cncc(C(OC)OC)c1.
What is the InChIKey of 3-(dimethoxymethyl)-5-methoxypyridine?
The InChIKey is OJTOOZMDVZQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-11-8-4-7(5-10-6-8)9(12-2)13-3/h4-6,9H,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-5-methoxypyridine?
3-(dimethoxymethyl)-5-methoxypyridine has a molecular weight of 183.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-5-methoxypyridine is sourced from PubChem (CID 45361740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).