4-methoxy-1,2-dihydropyridine

C6H9NO — CID 19045948

IUPAC4-methoxy-1,2-dihydropyridine
SMILESCOC1=CCNC=C1
InChIInChI=1S/C6H9NO/c1-8-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3
InChIKeyFFPGQFBGFWVOGQ-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.63
Rot. Bonds1

About 4-methoxy-1,2-dihydropyridine

4-methoxy-1,2-dihydropyridine (PubChem CID 19045948) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methoxy-1,2-dihydropyridine
PubChem CID19045948
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-methoxy-1,2-dihydropyridine
SMILESCOC1=CCNC=C1
InChIInChI=1S/C6H9NO/c1-8-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3
InChIKeyFFPGQFBGFWVOGQ-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-2-fluoro-4-methoxy-1H-pyridine
CID 172857166
(Pyridylidene)pyran
CID 129797087
6-Methoxy-1,2-dihydropyridine
CID 5255215
2-Methoxy-1,2-dihydropyridine
CID 17887843
3-Methoxy-1,2-dihydropyridine
CID 17887847
2,4-Dimethoxy-1,2-dihydropyridine
CID 18619805
2,5-Dimethoxy-1,2-dihydropyridine
CID 18619813
2,6-Dimethoxy-1,2-dihydropyridine
CID 18619815
5-Methoxy-1,2-dihydropyridine
CID 19045914
3-methoxy-1H-azepine
CID 19710579
5-Ethoxy-1,2-dihydropyridine
CID 22318760
4-Methoxypyridine-2-thiol
CID 45079722

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2-dihydropyridine?
The IUPAC name of 4-methoxy-1,2-dihydropyridine (CID 19045948) is 4-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 4-methoxy-1,2-dihydropyridine?
The canonical SMILES for 4-methoxy-1,2-dihydropyridine is COC1=CCNC=C1.
What is the InChIKey of 4-methoxy-1,2-dihydropyridine?
The InChIKey is FFPGQFBGFWVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3.
What are the key properties of 4-methoxy-1,2-dihydropyridine?
4-methoxy-1,2-dihydropyridine has a molecular weight of 111.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 19045948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).