4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile

C10H11N3O — CID 63881381

IUPAC4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(COC2CNC2)ccn1
InChIInChI=1S/C10H11N3O/c11-4-9-3-8(1-2-13-9)7-14-10-5-12-6-10/h1-3,10,12H,5-7H2
InChIKeyIGZCVPDMWVIURX-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.44
Rot. Bonds3

About 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile

4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile (PubChem CID 63881381) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile
PubChem CID63881381
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(COC2CNC2)ccn1
InChIInChI=1S/C10H11N3O/c11-4-9-3-8(1-2-13-9)7-14-10-5-12-6-10/h1-3,10,12H,5-7H2
InChIKeyIGZCVPDMWVIURX-UHFFFAOYSA-N
XLogP0.44
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile (CID 63881381) is 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile is N#Cc1cc(COC2CNC2)ccn1.
What is the InChIKey of 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile?
The InChIKey is IGZCVPDMWVIURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-4-9-3-8(1-2-13-9)7-14-10-5-12-6-10/h1-3,10,12H,5-7H2.
What are the key properties of 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile?
4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63881381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).