2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane

C12H16ClN3 — CID 22291236

IUPAC2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane
SMILESClc1ccc(N2CCC3(CCNC3)C2)cn1
InChIInChI=1S/C12H16ClN3/c13-11-2-1-10(7-15-11)16-6-4-12(9-16)3-5-14-8-12/h1-2,7,14H,3-6,8-9H2
InChIKeyRVRWHEINTYMPOQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.92
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane

2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 22291236) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane
PubChem CID22291236
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane
SMILESClc1ccc(N2CCC3(CCNC3)C2)cn1
InChIInChI=1S/C12H16ClN3/c13-11-2-1-10(7-15-11)16-6-4-12(9-16)3-5-14-8-12/h1-2,7,14H,3-6,8-9H2
InChIKeyRVRWHEINTYMPOQ-UHFFFAOYSA-N
XLogP1.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane (CID 22291236) is 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane is Clc1ccc(N2CCC3(CCNC3)C2)cn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is RVRWHEINTYMPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-11-2-1-10(7-15-11)16-6-4-12(9-16)3-5-14-8-12/h1-2,7,14H,3-6,8-9H2.
What are the key properties of 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 237.73 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 22291236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).