2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile

C9H9N3O — CID 151111745

IUPAC2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCOC2)c1
InChIInChI=1S/C9H9N3O/c10-6-8-1-2-11-9(5-8)12-3-4-13-7-12/h1-2,5H,3-4,7H2
InChIKeyMQGWCDYHCKFMDC-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.75
Rot. Bonds1

About 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile

2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile (PubChem CID 151111745) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
PubChem CID151111745
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCOC2)c1
InChIInChI=1S/C9H9N3O/c10-6-8-1-2-11-9(5-8)12-3-4-13-7-12/h1-2,5H,3-4,7H2
InChIKeyMQGWCDYHCKFMDC-UHFFFAOYSA-N
XLogP0.75
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile (CID 151111745) is 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCOC2)c1.
What is the InChIKey of 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile?
The InChIKey is MQGWCDYHCKFMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-8-1-2-11-9(5-8)12-3-4-13-7-12/h1-2,5H,3-4,7H2.
What are the key properties of 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile?
2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 151111745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).