6-methoxy-3-methyl-1,2-dihydropyridine

C7H11NO — CID 89419762

IUPAC6-methoxy-3-methyl-1,2-dihydropyridine
SMILESCOC1=CC=C(C)CN1
InChIInChI=1S/C7H11NO/c1-6-3-4-7(9-2)8-5-6/h3-4,8H,5H2,1-2H3
InChIKeyBCCZJWQDZMCSIH-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.02
Rot. Bonds1

About 6-methoxy-3-methyl-1,2-dihydropyridine

6-methoxy-3-methyl-1,2-dihydropyridine (PubChem CID 89419762) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-methoxy-3-methyl-1,2-dihydropyridine
PubChem CID89419762
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-methoxy-3-methyl-1,2-dihydropyridine
SMILESCOC1=CC=C(C)CN1
InChIInChI=1S/C7H11NO/c1-6-3-4-7(9-2)8-5-6/h3-4,8H,5H2,1-2H3
InChIKeyBCCZJWQDZMCSIH-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1,2-dihydropyridine?
The IUPAC name of 6-methoxy-3-methyl-1,2-dihydropyridine (CID 89419762) is 6-methoxy-3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-methoxy-3-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-methoxy-3-methyl-1,2-dihydropyridine is COC1=CC=C(C)CN1.
What is the InChIKey of 6-methoxy-3-methyl-1,2-dihydropyridine?
The InChIKey is BCCZJWQDZMCSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-4-7(9-2)8-5-6/h3-4,8H,5H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1,2-dihydropyridine?
6-methoxy-3-methyl-1,2-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 89419762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).