ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine

C23H33N3O3 — CID 159508883

IUPACethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine
SMILESCC.COCc1ccccn1.COCc1cccnc1.COCc1ccncc1
InChIInChI=1S/3C7H9NO.C2H6/c1-9-6-7-2-4-8-5-3-7;1-9-6-7-3-2-4-8-5-7;1-9-6-7-4-2-3-5-8-7;1-2/h3*2-5H,6H2,1H3;1-2H3
InChIKeyMAISABFDRIFMNC-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.71
Rot. Bonds6

About ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine

ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine (PubChem CID 159508883) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine
PubChem CID159508883
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Nameethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine
SMILESCC.COCc1ccccn1.COCc1cccnc1.COCc1ccncc1
InChIInChI=1S/3C7H9NO.C2H6/c1-9-6-7-2-4-8-5-3-7;1-9-6-7-3-2-4-8-5-7;1-9-6-7-4-2-3-5-8-7;1-2/h3*2-5H,6H2,1H3;1-2H3
InChIKeyMAISABFDRIFMNC-UHFFFAOYSA-N
XLogP4.71
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
methoxymethylbenzene;silane
CID 174277199
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
CID 159885585
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
CID 158586506
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine?
The IUPAC name of ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine (CID 159508883) is ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine.
What is the SMILES notation for ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine?
The canonical SMILES for ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine is CC.COCc1ccccn1.COCc1cccnc1.COCc1ccncc1.
What is the InChIKey of ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine?
The InChIKey is MAISABFDRIFMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9NO.C2H6/c1-9-6-7-2-4-8-5-3-7;1-9-6-7-3-2-4-8-5-7;1-9-6-7-4-2-3-5-8-7;1-2/h3*2-5H,6H2,1H3;1-2H3.
What are the key properties of ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine?
ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine has a molecular weight of 399.54 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine is sourced from PubChem (CID 159508883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).