2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile

C10H11N3 — CID 175441595

IUPAC2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(N2CCC2)cn1
InChIInChI=1S/C10H11N3/c11-5-4-9-2-3-10(8-12-9)13-6-1-7-13/h2-3,8H,1,4,6-7H2
InChIKeyHJLZSLAQUXHFBB-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.36
Rot. Bonds2

About 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile

2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile (PubChem CID 175441595) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile
PubChem CID175441595
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(N2CCC2)cn1
InChIInChI=1S/C10H11N3/c11-5-4-9-2-3-10(8-12-9)13-6-1-7-13/h2-3,8H,1,4,6-7H2
InChIKeyHJLZSLAQUXHFBB-UHFFFAOYSA-N
XLogP1.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile (CID 175441595) is 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile is N#CCc1ccc(N2CCC2)cn1.
What is the InChIKey of 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile?
The InChIKey is HJLZSLAQUXHFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-5-4-9-2-3-10(8-12-9)13-6-1-7-13/h2-3,8H,1,4,6-7H2.
What are the key properties of 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile?
2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-1-yl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 175441595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).