8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H14FN3O — CID 115417009

IUPAC8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1cc(F)ncn1
InChIInChI=1S/C11H14FN3O/c12-10-5-11(14-6-13-10)15-7-1-2-8(15)4-9(16)3-7/h5-9,16H,1-4H2
InChIKeyCNZBNBJADHYUNJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.11
Rot. Bonds1

About 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 115417009) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID115417009
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1cc(F)ncn1
InChIInChI=1S/C11H14FN3O/c12-10-5-11(14-6-13-10)15-7-1-2-8(15)4-9(16)3-7/h5-9,16H,1-4H2
InChIKeyCNZBNBJADHYUNJ-UHFFFAOYSA-N
XLogP1.11
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 115417009) is 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1cc(F)ncn1.
What is the InChIKey of 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CNZBNBJADHYUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-10-5-11(14-6-13-10)15-7-1-2-8(15)4-9(16)3-7/h5-9,16H,1-4H2.
What are the key properties of 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 223.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 115417009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).