5-methoxy-2-methylidene-3H-pyridine

C7H9NO — CID 123261020

IUPAC5-methoxy-2-methylidene-3H-pyridine
SMILESC=C1CC=C(OC)C=N1
InChIInChI=1S/C7H9NO/c1-6-3-4-7(9-2)5-8-6/h4-5H,1,3H2,2H3
InChIKeyRUNQLFPGBWDVBI-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.50
Rot. Bonds1

About 5-methoxy-2-methylidene-3H-pyridine

5-methoxy-2-methylidene-3H-pyridine (PubChem CID 123261020) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-methoxy-2-methylidene-3H-pyridine.

Molecular Properties

Compound Name5-methoxy-2-methylidene-3H-pyridine
PubChem CID123261020
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-methoxy-2-methylidene-3H-pyridine
SMILESC=C1CC=C(OC)C=N1
InChIInChI=1S/C7H9NO/c1-6-3-4-7(9-2)5-8-6/h4-5H,1,3H2,2H3
InChIKeyRUNQLFPGBWDVBI-UHFFFAOYSA-N
XLogP1.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylidene-3H-pyridine?
The IUPAC name of 5-methoxy-2-methylidene-3H-pyridine (CID 123261020) is 5-methoxy-2-methylidene-3H-pyridine.
What is the SMILES notation for 5-methoxy-2-methylidene-3H-pyridine?
The canonical SMILES for 5-methoxy-2-methylidene-3H-pyridine is C=C1CC=C(OC)C=N1.
What is the InChIKey of 5-methoxy-2-methylidene-3H-pyridine?
The InChIKey is RUNQLFPGBWDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-3-4-7(9-2)5-8-6/h4-5H,1,3H2,2H3.
What are the key properties of 5-methoxy-2-methylidene-3H-pyridine?
5-methoxy-2-methylidene-3H-pyridine has a molecular weight of 123.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylidene-3H-pyridine is sourced from PubChem (CID 123261020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).