(2S)-2-methoxy-1,2-dihydropyridine

C6H9NO — CID 173233931

IUPAC(2S)-2-methoxy-1,2-dihydropyridine
SMILESCO[C@H]1C=CC=CN1
InChIInChI=1S/C6H9NO/c1-8-6-4-2-3-5-7-6/h2-7H,1H3/t6-/m0/s1
InChIKeyAIEKAALFGHEGQZ-LURJTMIESA-N
MW111.14 g/mol
LogP0.63
Rot. Bonds1

About (2S)-2-methoxy-1,2-dihydropyridine

(2S)-2-methoxy-1,2-dihydropyridine (PubChem CID 173233931) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (2S)-2-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-methoxy-1,2-dihydropyridine
PubChem CID173233931
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(2S)-2-methoxy-1,2-dihydropyridine
SMILESCO[C@H]1C=CC=CN1
InChIInChI=1S/C6H9NO/c1-8-6-4-2-3-5-7-6/h2-7H,1H3/t6-/m0/s1
InChIKeyAIEKAALFGHEGQZ-LURJTMIESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-1,2-dihydropyridine?
The IUPAC name of (2S)-2-methoxy-1,2-dihydropyridine (CID 173233931) is (2S)-2-methoxy-1,2-dihydropyridine.
What is the SMILES notation for (2S)-2-methoxy-1,2-dihydropyridine?
The canonical SMILES for (2S)-2-methoxy-1,2-dihydropyridine is CO[C@H]1C=CC=CN1.
What is the InChIKey of (2S)-2-methoxy-1,2-dihydropyridine?
The InChIKey is AIEKAALFGHEGQZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6-4-2-3-5-7-6/h2-7H,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methoxy-1,2-dihydropyridine?
(2S)-2-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 (2S)-2-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 173233931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).