(1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene

C11H11BrN2 — CID 87915260

IUPAC(1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
SMILESBrc1cncc(C2=C[C@H]3CNC[C@@H]23)c1
InChIInChI=1S/C11H11BrN2/c12-9-1-7(3-13-5-9)10-2-8-4-14-6-11(8)10/h1-3,5,8,11,14H,4,6H2/t8-,11+/m0/s1
InChIKeyMFTULLRVBRKUGA-GZMMTYOYSA-N
MW251.13 g/mol
LogP2.08
Rot. Bonds1

About (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene

(1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene (PubChem CID 87915260) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name(1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
PubChem CID87915260
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name(1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
SMILESBrc1cncc(C2=C[C@H]3CNC[C@@H]23)c1
InChIInChI=1S/C11H11BrN2/c12-9-1-7(3-13-5-9)10-2-8-4-14-6-11(8)10/h1-3,5,8,11,14H,4,6H2/t8-,11+/m0/s1
InChIKeyMFTULLRVBRKUGA-GZMMTYOYSA-N
XLogP2.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene with MolForge

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Related Compounds

(1S,5S)-6-(5-ethynyl-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
CID 87915213
(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
CID 87915523
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 82569112
3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
CID 7010302
5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole
CID 140992599
4-(5-bromo-3-pyridinyl)phenol
CID 68606449
3-bromo-5-(2-bromocyclopropyl)pyridine
CID 164645028
(5-bromo-3-pyridinyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910381
2-(5-bromo-3-pyridinyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740096
(R)-(5-bromo-3-pyridinyl)-piperidin-4-ylmethanamine
CID 171314087

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
The IUPAC name of (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene (CID 87915260) is (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
The canonical SMILES for (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene is Brc1cncc(C2=C[C@H]3CNC[C@@H]23)c1.
What is the InChIKey of (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
The InChIKey is MFTULLRVBRKUGA-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-9-1-7(3-13-5-9)10-2-8-4-14-6-11(8)10/h1-3,5,8,11,14H,4,6H2/t8-,11+/m0/s1.
What are the key properties of (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
(1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene has a molecular weight of 251.13 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-(5-bromo-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 87915260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).