4-methoxy-2,3-dihydropyridine

C6H9NO — CID 19849680

IUPAC4-methoxy-2,3-dihydropyridine
SMILESCOC1=CC=NCC1
InChIInChI=1S/C6H9NO/c1-8-6-2-4-7-5-3-6/h2,4H,3,5H2,1H3
InChIKeyXHAHRHYAYWJNOQ-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.99
Rot. Bonds1

About 4-methoxy-2,3-dihydropyridine

4-methoxy-2,3-dihydropyridine (PubChem CID 19849680) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-methoxy-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methoxy-2,3-dihydropyridine
PubChem CID19849680
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-methoxy-2,3-dihydropyridine
SMILESCOC1=CC=NCC1
InChIInChI=1S/C6H9NO/c1-8-6-2-4-7-5-3-6/h2,4H,3,5H2,1H3
InChIKeyXHAHRHYAYWJNOQ-UHFFFAOYSA-N
XLogP0.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dihydropyridine?
The IUPAC name of 4-methoxy-2,3-dihydropyridine (CID 19849680) is 4-methoxy-2,3-dihydropyridine.
What is the SMILES notation for 4-methoxy-2,3-dihydropyridine?
The canonical SMILES for 4-methoxy-2,3-dihydropyridine is COC1=CC=NCC1.
What is the InChIKey of 4-methoxy-2,3-dihydropyridine?
The InChIKey is XHAHRHYAYWJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6-2-4-7-5-3-6/h2,4H,3,5H2,1H3.
What are the key properties of 4-methoxy-2,3-dihydropyridine?
4-methoxy-2,3-dihydropyridine has a molecular weight of 111.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dihydropyridine is sourced from PubChem (CID 19849680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).