8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C12H13ClF3N3O — CID 106767828

IUPAC8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H13ClF3N3O/c13-9-5-10(18-11(17-9)12(14,15)16)19-6-1-2-7(19)4-8(20)3-6/h5-8,20H,1-4H2
InChIKeyHCPCNDRVTXZLMK-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.64
Rot. Bonds1

About 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 106767828) has the molecular formula C12H13ClF3N3O and a molecular weight of 307.70 g/mol. Its IUPAC name is 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID106767828
Molecular FormulaC12H13ClF3N3O
Molecular Weight307.70 g/mol
Exact Mass307.07
IUPAC Name8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H13ClF3N3O/c13-9-5-10(18-11(17-9)12(14,15)16)19-6-1-2-7(19)4-8(20)3-6/h5-8,20H,1-4H2
InChIKeyHCPCNDRVTXZLMK-UHFFFAOYSA-N
XLogP2.64
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 129353137
CID 129353137
CID 117688550
CID 117688550
CID 117688674
CID 117688674
CID 117688706
CID 117688706
CID 124681432
CID 124681432
CID 106767018
CID 106767018
CID 106767029
CID 106767029
CID 106767188
CID 106767188
CID 106767232
CID 106767232
CID 106767689
CID 106767689
CID 106767724
CID 106767724
CID 106768010
CID 106768010

Frequently Asked Questions

What is the IUPAC name of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 106767828) is 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HCPCNDRVTXZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O/c13-9-5-10(18-11(17-9)12(14,15)16)19-6-1-2-7(19)4-8(20)3-6/h5-8,20H,1-4H2.
What are the key properties of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 307.70 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 106767828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).