1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione

C11H7ClF3N3O2 — CID 1488355

IUPAC1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C11H7ClF3N3O2/c1-17(18-8(19)2-3-9(18)20)10-7(12)4-6(5-16-10)11(13,14)15/h2-5H,1H3
InChIKeyDKAZMHNQQCOESP-UHFFFAOYSA-N
MW305.64 g/mol
LogP2.03
Rot. Bonds2

About 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione (PubChem CID 1488355) has the molecular formula C11H7ClF3N3O2 and a molecular weight of 305.64 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione
PubChem CID1488355
Molecular FormulaC11H7ClF3N3O2
Molecular Weight305.64 g/mol
Exact Mass305.02
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C11H7ClF3N3O2/c1-17(18-8(19)2-3-9(18)20)10-7(12)4-6(5-16-10)11(13,14)15/h2-5H,1H3
InChIKeyDKAZMHNQQCOESP-UHFFFAOYSA-N
XLogP2.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione (CID 1488355) is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione is CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione?
The InChIKey is DKAZMHNQQCOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2/c1-17(18-8(19)2-3-9(18)20)10-7(12)4-6(5-16-10)11(13,14)15/h2-5H,1H3.
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione?
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione has a molecular weight of 305.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]pyrrole-2,5-dione is sourced from PubChem (CID 1488355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).