2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine

C26H33Cl3F6N8O2 — CID 158665065

IUPAC2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1cccc(N2CCN(CC(F)(F)F)CC2)n1.O=C(CCl)Nc1cccc(N2CCN(CC(F)(F)F)CC2)n1.O=C(Cl)CCl
InChIInChI=1S/C13H16ClF3N4O.C11H15F3N4.C2H2Cl2O/c14-8-12(22)19-10-2-1-3-11(18-10)21-6-4-20(5-7-21)9-13(15,16)17;12-11(13,14)8-17-4-6-18(7-5-17)10-3-1-2-9(15)16-10;3-1-2(4)5/h1-3H,4-9H2,(H,18,19,22);1-3H,4-8H2,(H2,15,16);1H2
InChIKeyIDGAMCWQZGWNOL-UHFFFAOYSA-N
MW709.95 g/mol
LogP4.28
Rot. Bonds7

About 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine

2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 158665065) has the molecular formula C26H33Cl3F6N8O2 and a molecular weight of 709.95 g/mol. Its IUPAC name is 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
PubChem CID158665065
Molecular FormulaC26H33Cl3F6N8O2
Molecular Weight709.95 g/mol
Exact Mass708.17
IUPAC Name2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1cccc(N2CCN(CC(F)(F)F)CC2)n1.O=C(CCl)Nc1cccc(N2CCN(CC(F)(F)F)CC2)n1.O=C(Cl)CCl
InChIInChI=1S/C13H16ClF3N4O.C11H15F3N4.C2H2Cl2O/c14-8-12(22)19-10-2-1-3-11(18-10)21-6-4-20(5-7-21)9-13(15,16)17;12-11(13,14)8-17-4-6-18(7-5-17)10-3-1-2-9(15)16-10;3-1-2(4)5/h1-3H,4-9H2,(H,18,19,22);1-3H,4-8H2,(H2,15,16);1H2
InChIKeyIDGAMCWQZGWNOL-UHFFFAOYSA-N
XLogP4.28
TPSA110.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine (CID 158665065) is 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine is Nc1cccc(N2CCN(CC(F)(F)F)CC2)n1.O=C(CCl)Nc1cccc(N2CCN(CC(F)(F)F)CC2)n1.O=C(Cl)CCl.
What is the InChIKey of 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is IDGAMCWQZGWNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N4O.C11H15F3N4.C2H2Cl2O/c14-8-12(22)19-10-2-1-3-11(18-10)21-6-4-20(5-7-21)9-13(15,16)17;12-11(13,14)8-17-4-6-18(7-5-17)10-3-1-2-9(15)16-10;3-1-2(4)5/h1-3H,4-9H2,(H,18,19,22);1-3H,4-8H2,(H2,15,16);1H2.
What are the key properties of 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 709.95 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 158665065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).