8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H16ClN3O — CID 115474177

IUPAC8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc(Cl)nc1N1C2CCC1CC(O)C2
InChIInChI=1S/C12H16ClN3O/c13-11-4-3-10(14)12(15-11)16-7-1-2-8(16)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6,14H2
InChIKeyFMRRUQYFRSLIAL-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.81
Rot. Bonds1

About 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 115474177) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID115474177
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc(Cl)nc1N1C2CCC1CC(O)C2
InChIInChI=1S/C12H16ClN3O/c13-11-4-3-10(14)12(15-11)16-7-1-2-8(16)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6,14H2
InChIKeyFMRRUQYFRSLIAL-UHFFFAOYSA-N
XLogP1.81
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80845453
8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768873
8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762743
8-(2-aminoquinazolin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80818608
8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80972608
8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 105370231
(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768979
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloropyridin-3-amine
CID 82747499
6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 115473660
8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79555528
4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide
CID 55235657
8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104540402

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 115474177) is 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1ccc(Cl)nc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FMRRUQYFRSLIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-4-3-10(14)12(15-11)16-7-1-2-8(16)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6,14H2.
What are the key properties of 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 253.73 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 115474177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).