6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane

C12H15ClN2 — CID 166084312

IUPAC6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane
SMILESClc1ccc(CC2CC3(CNC3)C2)nc1
InChIInChI=1S/C12H15ClN2/c13-10-1-2-11(15-6-10)3-9-4-12(5-9)7-14-8-12/h1-2,6,9,14H,3-5,7-8H2
InChIKeyGZKRMTOANZOGFH-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.28
Rot. Bonds2

About 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane

6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane (PubChem CID 166084312) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane
PubChem CID166084312
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane
SMILESClc1ccc(CC2CC3(CNC3)C2)nc1
InChIInChI=1S/C12H15ClN2/c13-10-1-2-11(15-6-10)3-9-4-12(5-9)7-14-8-12/h1-2,6,9,14H,3-5,7-8H2
InChIKeyGZKRMTOANZOGFH-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane (CID 166084312) is 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane is Clc1ccc(CC2CC3(CNC3)C2)nc1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane?
The InChIKey is GZKRMTOANZOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-10-1-2-11(15-6-10)3-9-4-12(5-9)7-14-8-12/h1-2,6,9,14H,3-5,7-8H2.
What are the key properties of 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane?
6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane has a molecular weight of 222.72 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 166084312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).