5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine

C11H14BrF3N4 — CID 79535453

IUPAC5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cnc(N2CCN(CC(F)(F)F)CC2)c(Br)c1
InChIInChI=1S/C11H14BrF3N4/c12-9-5-8(16)6-17-10(9)19-3-1-18(2-4-19)7-11(13,14)15/h5-6H,1-4,7,16H2
InChIKeyDYGRVVMMSFVKND-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.11
Rot. Bonds2

About 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine

5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 79535453) has the molecular formula C11H14BrF3N4 and a molecular weight of 339.16 g/mol. Its IUPAC name is 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
PubChem CID79535453
Molecular FormulaC11H14BrF3N4
Molecular Weight339.16 g/mol
Exact Mass338.04
IUPAC Name5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cnc(N2CCN(CC(F)(F)F)CC2)c(Br)c1
InChIInChI=1S/C11H14BrF3N4/c12-9-5-8(16)6-17-10(9)19-3-1-18(2-4-19)7-11(13,14)15/h5-6H,1-4,7,16H2
InChIKeyDYGRVVMMSFVKND-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine (CID 79535453) is 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine is Nc1cnc(N2CCN(CC(F)(F)F)CC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is DYGRVVMMSFVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N4/c12-9-5-8(16)6-17-10(9)19-3-1-18(2-4-19)7-11(13,14)15/h5-6H,1-4,7,16H2.
What are the key properties of 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 339.16 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 79535453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).