5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

C11H13BrF3N3 — CID 150944205

IUPAC5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@H]2C(F)(F)F)c(Br)cn1
InChIInChI=1S/C11H13BrF3N3/c12-8-5-17-10(16)4-7(8)6-18-3-1-2-9(18)11(13,14)15/h4-5,9H,1-3,6H2,(H2,16,17)/t9-/m0/s1
InChIKeyLIRUSINIVVMGIH-VIFPVBQESA-N
MW324.14 g/mol
LogP2.95
Rot. Bonds2

About 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (PubChem CID 150944205) has the molecular formula C11H13BrF3N3 and a molecular weight of 324.14 g/mol. Its IUPAC name is 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
PubChem CID150944205
Molecular FormulaC11H13BrF3N3
Molecular Weight324.14 g/mol
Exact Mass323.02
IUPAC Name5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@H]2C(F)(F)F)c(Br)cn1
InChIInChI=1S/C11H13BrF3N3/c12-8-5-17-10(16)4-7(8)6-18-3-1-2-9(18)11(13,14)15/h4-5,9H,1-3,6H2,(H2,16,17)/t9-/m0/s1
InChIKeyLIRUSINIVVMGIH-VIFPVBQESA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (CID 150944205) is 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CCC[C@H]2C(F)(F)F)c(Br)cn1.
What is the InChIKey of 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is LIRUSINIVVMGIH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrF3N3/c12-8-5-17-10(16)4-7(8)6-18-3-1-2-9(18)11(13,14)15/h4-5,9H,1-3,6H2,(H2,16,17)/t9-/m0/s1.
What are the key properties of 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 324.14 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 150944205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).