2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone

C12H13BrN2O — CID 61073633

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone
SMILESO=C(c1cncc(Br)c1)N1CC2CCC1C2
InChIInChI=1S/C12H13BrN2O/c13-10-4-9(5-14-6-10)12(16)15-7-8-1-2-11(15)3-8/h4-6,8,11H,1-3,7H2
InChIKeyGAZDXCWBBFWNDV-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.47
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone (PubChem CID 61073633) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone
PubChem CID61073633
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone
SMILESO=C(c1cncc(Br)c1)N1CC2CCC1C2
InChIInChI=1S/C12H13BrN2O/c13-10-4-9(5-14-6-10)12(16)15-7-8-1-2-11(15)3-8/h4-6,8,11H,1-3,7H2
InChIKeyGAZDXCWBBFWNDV-UHFFFAOYSA-N
XLogP2.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone (CID 61073633) is 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone is O=C(c1cncc(Br)c1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone?
The InChIKey is GAZDXCWBBFWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-4-9(5-14-6-10)12(16)15-7-8-1-2-11(15)3-8/h4-6,8,11H,1-3,7H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone has a molecular weight of 281.15 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone is sourced from PubChem (CID 61073633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).