N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine

C12H16ClN3 — CID 105364008

IUPACN-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESClc1ncccc1NC1CCN2CCC1C2
InChIInChI=1S/C12H16ClN3/c13-12-11(2-1-5-14-12)15-10-4-7-16-6-3-9(10)8-16/h1-2,5,9-10,15H,3-4,6-8H2
InChIKeyAYTQUDXBYSVQNZ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.24
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364008) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364008
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC NameN-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESClc1ncccc1NC1CCN2CCC1C2
InChIInChI=1S/C12H16ClN3/c13-12-11(2-1-5-14-12)15-10-4-7-16-6-3-9(10)8-16/h1-2,5,9-10,15H,3-4,6-8H2
InChIKeyAYTQUDXBYSVQNZ-UHFFFAOYSA-N
XLogP2.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.24
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 N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364008) is N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine is Clc1ncccc1NC1CCN2CCC1C2.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is AYTQUDXBYSVQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-12-11(2-1-5-14-12)15-10-4-7-16-6-3-9(10)8-16/h1-2,5,9-10,15H,3-4,6-8H2.
What are the key properties of N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 237.73 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).