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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Related Compounds

2-azabicyclo[2.2.1]heptan-2-yl-[5-bromo-2-(methylamino)-3-pyridinyl]methanone
CID 62174401
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122883
6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
CID 117050693
2-azabicyclo[2.2.1]heptan-2-yl-(6-hydrazinyl-3-pyridinyl)methanone
CID 62247275
2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 71996709
(5-bromo-3-pyridinyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984339
(2S,4S)-1-(5-bromopyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983596
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-bromo-3-pyridinyl)methanone
CID 47251098
2-azabicyclo[2.2.1]heptan-2-yl-(5-chloropyrimidin-4-yl)methanone
CID 71862000
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944

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).