8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H14ClN3O — CID 105370231

IUPAC8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-10-5-13-6-14-11(10)15-7-1-2-8(15)4-9(16)3-7/h5-9,16H,1-4H2
InChIKeyFBGFIRIUMJOSRE-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.62
Rot. Bonds1

About 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 105370231) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID105370231
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-10-5-13-6-14-11(10)15-7-1-2-8(15)4-9(16)3-7/h5-9,16H,1-4H2
InChIKeyFBGFIRIUMJOSRE-UHFFFAOYSA-N
XLogP1.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768873
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770283
8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79555528
8-(6-chloro-5-propylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769479
3-bromo-8-(5-bromopyrimidin-4-yl)-8-azabicyclo[3.2.1]octane
CID 80667496
1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 113413775
(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 136515626
8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115474177
2-azabicyclo[2.2.1]heptan-2-yl-(5-chloropyrimidin-4-yl)methanone
CID 71862000
8-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298049
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 105370231) is 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ncncc1Cl.
What is the InChIKey of 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FBGFIRIUMJOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-5-13-6-14-11(10)15-7-1-2-8(15)4-9(16)3-7/h5-9,16H,1-4H2.
What are the key properties of 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 239.71 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 105370231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).