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

C11H11BrFN3O — CID 166518234

IUPAC(1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1nc(Br)ccc1F)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H11BrFN3O/c12-9-2-1-6(13)10(15-9)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
InChIKeyMHUFZGKDSHLTTR-NJUXHZRNSA-N
MW300.13 g/mol
LogP1.67
Rot. Bonds2

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

(1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 166518234) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is (1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID166518234
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name(1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1nc(Br)ccc1F)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H11BrFN3O/c12-9-2-1-6(13)10(15-9)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
InChIKeyMHUFZGKDSHLTTR-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-3-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

Related Compounds

N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 140776836
(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175857408
(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020380
(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126622509
N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753842
N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753845
(1S,3S,5S)-N-(1H-pyrazol-4-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131089748
6-bromo-3-fluoro-N-methylpyridin-2-amine
CID 122605027
(3R,5R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 155284235
(3S)-N-(6-bromo-3-methyl-2-pyridinyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
CID 135318621
N-(3-fluoro-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 107595057
N-(2-fluoro-5-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119264139

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 166518234) is (1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1nc(Br)ccc1F)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is MHUFZGKDSHLTTR-NJUXHZRNSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c12-9-2-1-6(13)10(15-9)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-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(6-bromo-3-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-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 166518234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).