1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane

C12H16ClN3 — CID 87913487

IUPAC1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
SMILESClc1ccc(N2CCCC23CCNC3)cn1
InChIInChI=1S/C12H16ClN3/c13-11-3-2-10(8-15-11)16-7-1-4-12(16)5-6-14-9-12/h2-3,8,14H,1,4-7,9H2
InChIKeyPVWHKOYIBWDTNS-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.07
Rot. Bonds1

About 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane

1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane (PubChem CID 87913487) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
PubChem CID87913487
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
SMILESClc1ccc(N2CCCC23CCNC3)cn1
InChIInChI=1S/C12H16ClN3/c13-11-3-2-10(8-15-11)16-7-1-4-12(16)5-6-14-9-12/h2-3,8,14H,1,4-7,9H2
InChIKeyPVWHKOYIBWDTNS-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane (CID 87913487) is 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane is Clc1ccc(N2CCCC23CCNC3)cn1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
The InChIKey is PVWHKOYIBWDTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-11-3-2-10(8-15-11)16-7-1-4-12(16)5-6-14-9-12/h2-3,8,14H,1,4-7,9H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane has a molecular weight of 237.73 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 87913487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).