3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane

C10H11BrN2O — CID 146270873

IUPAC3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESBrc1ccc(N2CC3CC(C2)O3)nc1
InChIInChI=1S/C10H11BrN2O/c11-7-1-2-10(12-4-7)13-5-8-3-9(6-13)14-8/h1-2,4,8-9H,3,5-6H2
InChIKeyHPCANORTCIWEEI-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.82
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane

3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane (PubChem CID 146270873) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane
PubChem CID146270873
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESBrc1ccc(N2CC3CC(C2)O3)nc1
InChIInChI=1S/C10H11BrN2O/c11-7-1-2-10(12-4-7)13-5-8-3-9(6-13)14-8/h1-2,4,8-9H,3,5-6H2
InChIKeyHPCANORTCIWEEI-UHFFFAOYSA-N
XLogP1.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 155296393
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine
CID 130815994
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
2-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163355260
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370701
6-(5-bromo-2-pyridinyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364559
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 172880789
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane (CID 146270873) is 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane is Brc1ccc(N2CC3CC(C2)O3)nc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The InChIKey is HPCANORTCIWEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-7-1-2-10(12-4-7)13-5-8-3-9(6-13)14-8/h1-2,4,8-9H,3,5-6H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane has a molecular weight of 255.11 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 146270873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).