2-methyl-3-[(2R)-oxiran-2-yl]pyridine

C8H9NO — CID 89380825

IUPAC2-methyl-3-[(2R)-oxiran-2-yl]pyridine
SMILESCc1ncccc1[C@@H]1CO1
InChIInChI=1S/C8H9NO/c1-6-7(8-5-10-8)3-2-4-9-6/h2-4,8H,5H2,1H3/t8-/m0/s1
InChIKeyZZPWYINEPUZPQB-QMMMGPOBSA-N
MW135.17 g/mol
LogP1.46
Rot. Bonds1

About 2-methyl-3-[(2R)-oxiran-2-yl]pyridine

2-methyl-3-[(2R)-oxiran-2-yl]pyridine (PubChem CID 89380825) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-methyl-3-[(2R)-oxiran-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(2R)-oxiran-2-yl]pyridine
PubChem CID89380825
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-methyl-3-[(2R)-oxiran-2-yl]pyridine
SMILESCc1ncccc1[C@@H]1CO1
InChIInChI=1S/C8H9NO/c1-6-7(8-5-10-8)3-2-4-9-6/h2-4,8H,5H2,1H3/t8-/m0/s1
InChIKeyZZPWYINEPUZPQB-QMMMGPOBSA-N
XLogP1.46
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2R)-oxiran-2-yl]pyridine?
The IUPAC name of 2-methyl-3-[(2R)-oxiran-2-yl]pyridine (CID 89380825) is 2-methyl-3-[(2R)-oxiran-2-yl]pyridine.
What is the SMILES notation for 2-methyl-3-[(2R)-oxiran-2-yl]pyridine?
The canonical SMILES for 2-methyl-3-[(2R)-oxiran-2-yl]pyridine is Cc1ncccc1[C@@H]1CO1.
What is the InChIKey of 2-methyl-3-[(2R)-oxiran-2-yl]pyridine?
The InChIKey is ZZPWYINEPUZPQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-7(8-5-10-8)3-2-4-9-6/h2-4,8H,5H2,1H3/t8-/m0/s1.
What are the key properties of 2-methyl-3-[(2R)-oxiran-2-yl]pyridine?
2-methyl-3-[(2R)-oxiran-2-yl]pyridine has a molecular weight of 135.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2R)-oxiran-2-yl]pyridine is sourced from PubChem (CID 89380825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).