3-pyridin-3-yl-1,2-oxazolidine

C8H10N2O — CID 22748551

IUPAC3-pyridin-3-yl-1,2-oxazolidine
SMILESc1cncc(C2CCON2)c1
InChIInChI=1S/C8H10N2O/c1-2-7(6-9-4-1)8-3-5-11-10-8/h1-2,4,6,8,10H,3,5H2
InChIKeyXGQHPKHFETWWKN-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.05
Rot. Bonds1

About 3-pyridin-3-yl-1,2-oxazolidine

3-pyridin-3-yl-1,2-oxazolidine (PubChem CID 22748551) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,2-oxazolidine.

Molecular Properties

Compound Name3-pyridin-3-yl-1,2-oxazolidine
PubChem CID22748551
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-pyridin-3-yl-1,2-oxazolidine
SMILESc1cncc(C2CCON2)c1
InChIInChI=1S/C8H10N2O/c1-2-7(6-9-4-1)8-3-5-11-10-8/h1-2,4,6,8,10H,3,5H2
InChIKeyXGQHPKHFETWWKN-UHFFFAOYSA-N
XLogP1.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
3-Pyridinepropanol
CID 17861
3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine
CID 409
Nicotine 1'-N-oxide
CID 68107
(R)-Nornicotine
CID 93047
nicotine N-oxide
CID 211457
(S)-nicotinium(1+)
CID 6919000
rac-Nicotine 1-Oxide
CID 17785
3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine
CID 12313859
(-)-Nornicotine
CID 6950513
(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,2-oxazolidine?
The IUPAC name of 3-pyridin-3-yl-1,2-oxazolidine (CID 22748551) is 3-pyridin-3-yl-1,2-oxazolidine.
What is the SMILES notation for 3-pyridin-3-yl-1,2-oxazolidine?
The canonical SMILES for 3-pyridin-3-yl-1,2-oxazolidine is c1cncc(C2CCON2)c1.
What is the InChIKey of 3-pyridin-3-yl-1,2-oxazolidine?
The InChIKey is XGQHPKHFETWWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-7(6-9-4-1)8-3-5-11-10-8/h1-2,4,6,8,10H,3,5H2.
What are the key properties of 3-pyridin-3-yl-1,2-oxazolidine?
3-pyridin-3-yl-1,2-oxazolidine has a molecular weight of 150.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1,2-oxazolidine is sourced from PubChem (CID 22748551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).