3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane

C10H11BrN2O — CID 162710769

IUPAC3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane
SMILESBrc1ccc(N2COC23CCC3)nc1
InChIInChI=1S/C10H11BrN2O/c11-8-2-3-9(12-6-8)13-7-14-10(13)4-1-5-10/h2-3,6H,1,4-5,7H2
InChIKeyFVNFTXKRJGZNJP-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.52
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane

3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane (PubChem CID 162710769) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane
PubChem CID162710769
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane
SMILESBrc1ccc(N2COC23CCC3)nc1
InChIInChI=1S/C10H11BrN2O/c11-8-2-3-9(12-6-8)13-7-14-10(13)4-1-5-10/h2-3,6H,1,4-5,7H2
InChIKeyFVNFTXKRJGZNJP-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
CID 63218652
4-(5-bromo-2-pyridinyl)-2,2-dimethylmorpholine
CID 61375097
1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine
CID 63595100
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 146270873
1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one
CID 66678736
1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine
CID 164854692
4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde
CID 174720095
(3R,4S)-3-[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129483548

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane (CID 162710769) is 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane is Brc1ccc(N2COC23CCC3)nc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane?
The InChIKey is FVNFTXKRJGZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-2-3-9(12-6-8)13-7-14-10(13)4-1-5-10/h2-3,6H,1,4-5,7H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane?
3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane has a molecular weight of 255.11 g/mol, XLogP of 2.52, 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)-1-oxa-3-azaspiro[3.3]heptane is sourced from PubChem (CID 162710769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).