(1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H11BrFN3O — CID 126618368

IUPAC(1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H11BrFN3O/c12-10-6(13)1-2-9(15-10)16-11(17)8-4-5-3-7(5)14-8/h1-2,5,7-8,14H,3-4H2,(H,15,16,17)/t5-,7-,8+/m1/s1
InChIKeyIIBIDJBIVVOYNO-NJUXHZRNSA-N
MW300.13 g/mol
LogP1.67
Rot. Bonds2

About (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 126618368) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID126618368
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name(1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H11BrFN3O/c12-10-6(13)1-2-9(15-10)16-11(17)8-4-5-3-7(5)14-8/h1-2,5,7-8,14H,3-4H2,(H,15,16,17)/t5-,7-,8+/m1/s1
InChIKeyIIBIDJBIVVOYNO-NJUXHZRNSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 126618368) is (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1ccc(F)c(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is IIBIDJBIVVOYNO-NJUXHZRNSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c12-10-6(13)1-2-9(15-10)16-11(17)8-4-5-3-7(5)14-8/h1-2,5,7-8,14H,3-4H2,(H,15,16,17)/t5-,7-,8+/m1/s1.
What are the key properties of (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 300.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-(6-bromo-5-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 126618368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).