8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride

C12H15ClF3N3 — CID 67234325

IUPAC8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2C3CCC2CNC3)nc1
InChIInChI=1S/C12H14F3N3.ClH/c13-12(14,15)8-1-4-11(17-5-8)18-9-2-3-10(18)7-16-6-9;/h1,4-5,9-10,16H,2-3,6-7H2;1H
InChIKeyIQZIPHGKJVAQNT-UHFFFAOYSA-N
MW293.72 g/mol
LogP2.46
Rot. Bonds1

About 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride

8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride (PubChem CID 67234325) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
PubChem CID67234325
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2C3CCC2CNC3)nc1
InChIInChI=1S/C12H14F3N3.ClH/c13-12(14,15)8-1-4-11(17-5-8)18-9-2-3-10(18)7-16-6-9;/h1,4-5,9-10,16H,2-3,6-7H2;1H
InChIKeyIQZIPHGKJVAQNT-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride with MolForge

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Related Compounds

7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138
O-[5-(trifluoromethyl)-2-[[8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]hydroxylamine
CID 76565790
2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine
CID 71302276
(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 96947194
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine;hydrochloride
CID 171371651
3-[2-propoxy-4-(trifluoromethyl)phenoxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane
CID 87099992
3-[2-(1,3-dioxolan-2-yl)-4-(trifluoromethyl)phenoxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane
CID 23159145
7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11335567
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779

Frequently Asked Questions

What is the IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride (CID 67234325) is 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride is Cl.FC(F)(F)c1ccc(N2C3CCC2CNC3)nc1.
What is the InChIKey of 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is IQZIPHGKJVAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3.ClH/c13-12(14,15)8-1-4-11(17-5-8)18-9-2-3-10(18)7-16-6-9;/h1,4-5,9-10,16H,2-3,6-7H2;1H.
What are the key properties of 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride?
8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 293.72 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 67234325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).