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

C12H16ClF3N4 — CID 62968110

IUPAC5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16ClF3N4/c13-9-1-2-11(17)18-10(9)7-19-3-5-20(6-4-19)8-12(14,15)16/h1-2H,3-8H2,(H2,17,18)
InChIKeyAKMYEHHTXSSTDF-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.00
Rot. Bonds3

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

5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 62968110) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine
PubChem CID62968110
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16ClF3N4/c13-9-1-2-11(17)18-10(9)7-19-3-5-20(6-4-19)8-12(14,15)16/h1-2H,3-8H2,(H2,17,18)
InChIKeyAKMYEHHTXSSTDF-UHFFFAOYSA-N
XLogP2.00
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vorasidenib
CID 117817422
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
Org 12962
CID 9796408
1,3,5-Triazine-2,4-diamine, 6-(6-chloro-2-pyridinyl)-N2,N4-bis[(1S)-2,2,2-trifluoro-1-methylethyl]-
CID 117817339
AG-881;AG 881; AG881
CID 117817435
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
2-Chloro-6-(4-methylpiperazino)pyridine
CID 10727230
HU4Q3S7Pqm
CID 117817448
Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride
CID 3024498
6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817137
6-(6-chloropyridin-2-yl)-4-N-[(2R)-1,1,1-trifluorobutan-2-yl]-2-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817506
6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817514

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine (CID 62968110) is 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine is Nc1ccc(Cl)c(CN2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is AKMYEHHTXSSTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4/c13-9-1-2-11(17)18-10(9)7-19-3-5-20(6-4-19)8-12(14,15)16/h1-2H,3-8H2,(H2,17,18).
What are the key properties of 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine?
5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 308.74 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 62968110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).