3-(oxiran-2-yl)pyridine

C7H7NO — CID 13319561

IUPAC3-(oxiran-2-yl)pyridine
SMILESc1cncc(C2CO2)c1
InChIInChI=1S/C7H7NO/c1-2-6(4-8-3-1)7-5-9-7/h1-4,7H,5H2
InChIKeyQLGZSSLYMJHGRQ-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.15
Rot. Bonds1

About 3-(oxiran-2-yl)pyridine

3-(oxiran-2-yl)pyridine (PubChem CID 13319561) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-(oxiran-2-yl)pyridine.

Molecular Properties

Compound Name3-(oxiran-2-yl)pyridine
PubChem CID13319561
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name3-(oxiran-2-yl)pyridine
SMILESc1cncc(C2CO2)c1
InChIInChI=1S/C7H7NO/c1-2-6(4-8-3-1)7-5-9-7/h1-4,7H,5H2
InChIKeyQLGZSSLYMJHGRQ-UHFFFAOYSA-N
XLogP1.15
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.15
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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Related Compounds

3-Pyridinemethanol
CID 7510
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Methyl-3-pyridinemethanol
CID 101192
(4-Methylpyridin-3-yl)methanol
CID 232487
3-Pyridinemethanol, alpha-methyl-, 1-oxide
CID 151201
(Pyridin-3-yl)methyl acetate
CID 295656
Nicotinyl alcohol hydrofluoride
CID 20333624
3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
CID 2796523
2-Amino-1-(pyridin-3-yl)ethan-1-ol
CID 3710594
2-(Oxiran-2-yl)pyridine
CID 9833950
1-(Pyridin-3-yl)propan-1-ol
CID 11083942

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-yl)pyridine?
The IUPAC name of 3-(oxiran-2-yl)pyridine (CID 13319561) is 3-(oxiran-2-yl)pyridine.
What is the SMILES notation for 3-(oxiran-2-yl)pyridine?
The canonical SMILES for 3-(oxiran-2-yl)pyridine is c1cncc(C2CO2)c1.
What is the InChIKey of 3-(oxiran-2-yl)pyridine?
The InChIKey is QLGZSSLYMJHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-6(4-8-3-1)7-5-9-7/h1-4,7H,5H2.
What are the key properties of 3-(oxiran-2-yl)pyridine?
3-(oxiran-2-yl)pyridine has a molecular weight of 121.14 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-yl)pyridine is sourced from PubChem (CID 13319561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).