8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H14Br2N2O — CID 113413775

IUPAC8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncc(Br)cc1Br
InChIInChI=1S/C12H14Br2N2O/c13-7-3-11(14)12(15-6-7)16-8-1-2-9(16)5-10(17)4-8/h3,6,8-10,17H,1-2,4-5H2
InChIKeyWGIZXMCSRZIREW-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.10
Rot. Bonds1

About 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 113413775) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID113413775
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncc(Br)cc1Br
InChIInChI=1S/C12H14Br2N2O/c13-7-3-11(14)12(15-6-7)16-8-1-2-9(16)5-10(17)4-8/h3,6,8-10,17H,1-2,4-5H2
InChIKeyWGIZXMCSRZIREW-UHFFFAOYSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-[5-bromo-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846699
3-bromo-8-(5-bromo-3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 80666629
8-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 166602954
6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997620
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770283
1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131140975
8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 105370231
8-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846696
8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 129275418
3-bromo-8-(5-bromopyrimidin-4-yl)-8-azabicyclo[3.2.1]octane
CID 80667496
(5-bromo-2-hydrazinyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63769333
8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79555528

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 113413775) is 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ncc(Br)cc1Br.
What is the InChIKey of 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WGIZXMCSRZIREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c13-7-3-11(14)12(15-6-7)16-8-1-2-9(16)5-10(17)4-8/h3,6,8-10,17H,1-2,4-5H2.
What are the key properties of 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 362.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 113413775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).