4-methylpyridine;oxane

C11H17NO — CID 158908863

IUPAC4-methylpyridine;oxane
SMILESC1CCOCC1.Cc1ccncc1
InChIInChI=1S/C6H7N.C5H10O/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h2-5H,1H3;1-5H2
InChIKeyJGJSUMYHANRPKT-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.58
Rot. Bonds

About 4-methylpyridine;oxane

4-methylpyridine;oxane (PubChem CID 158908863) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-methylpyridine;oxane.

Molecular Properties

Compound Name4-methylpyridine;oxane
PubChem CID158908863
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-methylpyridine;oxane
SMILESC1CCOCC1.Cc1ccncc1
InChIInChI=1S/C6H7N.C5H10O/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h2-5H,1H3;1-5H2
InChIKeyJGJSUMYHANRPKT-UHFFFAOYSA-N
XLogP2.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxane;1,4-xylene
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ethane;4-methylpyridine
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tetrakis(4-methylpyridine);nickel
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bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
N,N-dimethylpyridin-4-amine;oxolane
CID 67021647
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1,4-dioxane;pyridine;toluene
CID 159427625
N,N-dimethylmethanamine;4-methylpyridine
CID 22155636
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
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CID 173435913

Frequently Asked Questions

What is the IUPAC name of 4-methylpyridine;oxane?
The IUPAC name of 4-methylpyridine;oxane (CID 158908863) is 4-methylpyridine;oxane.
What is the SMILES notation for 4-methylpyridine;oxane?
The canonical SMILES for 4-methylpyridine;oxane is C1CCOCC1.Cc1ccncc1.
What is the InChIKey of 4-methylpyridine;oxane?
The InChIKey is JGJSUMYHANRPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H10O/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h2-5H,1H3;1-5H2.
What are the key properties of 4-methylpyridine;oxane?
4-methylpyridine;oxane has a molecular weight of 179.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine;oxane is sourced from PubChem (CID 158908863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).