5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile

C10H11N3O — CID 21345216

IUPAC5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OC[C@@H]2CCN2)cn1
InChIInChI=1S/C10H11N3O/c11-5-8-1-2-10(6-13-8)14-7-9-3-4-12-9/h1-2,6,9,12H,3-4,7H2/t9-/m0/s1
InChIKeyDVISFQDCPUDHJU-VIFPVBQESA-N
MW189.22 g/mol
LogP0.69
Rot. Bonds3

About 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile

5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile (PubChem CID 21345216) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
PubChem CID21345216
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OC[C@@H]2CCN2)cn1
InChIInChI=1S/C10H11N3O/c11-5-8-1-2-10(6-13-8)14-7-9-3-4-12-9/h1-2,6,9,12H,3-4,7H2/t9-/m0/s1
InChIKeyDVISFQDCPUDHJU-VIFPVBQESA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile (CID 21345216) is 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile is N#Cc1ccc(OC[C@@H]2CCN2)cn1.
What is the InChIKey of 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile?
The InChIKey is DVISFQDCPUDHJU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-8-1-2-10(6-13-8)14-7-9-3-4-12-9/h1-2,6,9,12H,3-4,7H2/t9-/m0/s1.
What are the key properties of 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile?
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 21345216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).