[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione

C32H20Cl2F6N6O2 — CID 159320659

IUPAC[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESNCc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1.O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1
InChIInChI=1S/C20H11ClF3N3O2.C12H9ClF3N3/c21-16-9-25-12(7-15(16)11-5-6-17(26-8-11)20(22,23)24)10-27-18(28)13-3-1-2-4-14(13)19(27)29;13-10-6-18-8(4-17)3-9(10)7-1-2-11(19-5-7)12(14,15)16/h1-9H,10H2;1-3,5-6H,4,17H2
InChIKeyLDSIEFLGCOJNBD-UHFFFAOYSA-N
MW705.45 g/mol
LogP7.89
Rot. Bonds5

About [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione

[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 159320659) has the molecular formula C32H20Cl2F6N6O2 and a molecular weight of 705.45 g/mol. Its IUPAC name is [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID159320659
Molecular FormulaC32H20Cl2F6N6O2
Molecular Weight705.45 g/mol
Exact Mass704.09
IUPAC Name[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESNCc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1.O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1
InChIInChI=1S/C20H11ClF3N3O2.C12H9ClF3N3/c21-16-9-25-12(7-15(16)11-5-6-17(26-8-11)20(22,23)24)10-27-18(28)13-3-1-2-4-14(13)19(27)29;13-10-6-18-8(4-17)3-9(10)7-1-2-11(19-5-7)12(14,15)16/h1-9H,10H2;1-3,5-6H,4,17H2
InChIKeyLDSIEFLGCOJNBD-UHFFFAOYSA-N
XLogP7.89
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.45
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-((R)-1-(3-chloropyridin-2-yl)-2,2,2-trifluoroethyl)-2-((S)-2,6-dioxopiperidin-3-yl)-1-oxoisoindoline-5-carboxamide
CID 155338753
US10301306, Example 11
CID 121417638
US10301306, Example 166
CID 146012488
2-[(2R)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 44331807
2-[2-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-ethyl]-isoindole-1,3-dione
CID 22637228
2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]isoindole-1,3-dione
CID 22988186
2-{1-[6-(3-Chloro-pyridin-4-YL)-5-(5-trifluoromethyl-pyridin-2-YL)-pyrazin-2-YL]-piperidin-4-YL}-isoindole-1,3-dione
CID 58851920
2-[3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]propyl]isoindole-1,3-dione
CID 68783163
2-[1-[6-(3-Chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]isoindole-1,3-dione
CID 71199957
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-iodobenzamide;N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide
CID 87444855
2-[1-[5-[(3Z,5E)-6-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]isoindole-1,3-dione
CID 89365428
N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
CID 89397374

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione (CID 159320659) is [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione is NCc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1.O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1.
What is the InChIKey of [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is LDSIEFLGCOJNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF3N3O2.C12H9ClF3N3/c21-16-9-25-12(7-15(16)11-5-6-17(26-8-11)20(22,23)24)10-27-18(28)13-3-1-2-4-14(13)19(27)29;13-10-6-18-8(4-17)3-9(10)7-1-2-11(19-5-7)12(14,15)16/h1-9H,10H2;1-3,5-6H,4,17H2.
What are the key properties of [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione?
[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 705.45 g/mol, XLogP of 7.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanamine;2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 159320659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).