6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane

C12H15BrN2 — CID 130994092

IUPAC6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane
SMILESBrc1cccnc1N1CCC2(CCC2)C1
InChIInChI=1S/C12H15BrN2/c13-10-3-1-7-14-11(10)15-8-6-12(9-15)4-2-5-12/h1,3,7H,2,4-6,8-9H2
InChIKeyZOIAVJNPBVSXID-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.22
Rot. Bonds1

About 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane

6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane (PubChem CID 130994092) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane
PubChem CID130994092
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane
SMILESBrc1cccnc1N1CCC2(CCC2)C1
InChIInChI=1S/C12H15BrN2/c13-10-3-1-7-14-11(10)15-8-6-12(9-15)4-2-5-12/h1,3,7H,2,4-6,8-9H2
InChIKeyZOIAVJNPBVSXID-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55209852
8-(3-bromo-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67246417
1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
CID 69227330
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763
5-(3-bromo-2-pyridinyl)-1,2,5-dithiazepane
CID 131101938
2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde
CID 114055531
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
CID 113413836
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine
CID 131052543

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane (CID 130994092) is 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane is Brc1cccnc1N1CCC2(CCC2)C1.
What is the InChIKey of 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane?
The InChIKey is ZOIAVJNPBVSXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-10-3-1-7-14-11(10)15-8-6-12(9-15)4-2-5-12/h1,3,7H,2,4-6,8-9H2.
What are the key properties of 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane?
6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane has a molecular weight of 267.17 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 130994092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).