5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine

C11H14ClN3 — CID 10398695

IUPAC5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine
SMILESNc1cc([C@H]2CC3CCC2N3)cnc1Cl
InChIInChI=1S/C11H14ClN3/c12-11-9(13)3-6(5-14-11)8-4-7-1-2-10(8)15-7/h3,5,7-8,10,15H,1-2,4,13H2/t7?,8-,10?/m1/s1
InChIKeyQUOARABQCFZLNV-CCNFQMFXSA-N
MW223.71 g/mol
LogP1.93
Rot. Bonds1

About 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine

5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine (PubChem CID 10398695) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine.

Molecular Properties

Compound Name5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine
PubChem CID10398695
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine
SMILESNc1cc([C@H]2CC3CCC2N3)cnc1Cl
InChIInChI=1S/C11H14ClN3/c12-11-9(13)3-6(5-14-11)8-4-7-1-2-10(8)15-7/h3,5,7-8,10,15H,1-2,4,13H2/t7?,8-,10?/m1/s1
InChIKeyQUOARABQCFZLNV-CCNFQMFXSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.93
H-Bond Donors ≤ 52
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 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine?
The IUPAC name of 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine (CID 10398695) is 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine.
What is the SMILES notation for 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine?
The canonical SMILES for 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine is Nc1cc([C@H]2CC3CCC2N3)cnc1Cl.
What is the InChIKey of 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine?
The InChIKey is QUOARABQCFZLNV-CCNFQMFXSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-11-9(13)3-6(5-14-11)8-4-7-1-2-10(8)15-7/h3,5,7-8,10,15H,1-2,4,13H2/t7?,8-,10?/m1/s1.
What are the key properties of 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine?
5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine has a molecular weight of 223.71 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloropyridin-3-amine is sourced from PubChem (CID 10398695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).