N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H11ClF3N3O2 — CID 2746683

IUPACN-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESN/C(=N\C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3O2/c16-11-4-1-9(2-5-11)13(20)22-14(23)10-3-6-12(21-7-10)24-8-15(17,18)19/h1-7H,8H2,(H2,20,22,23)
InChIKeyUGZUHDOTBSPJRC-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.22
Rot. Bonds4

About N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 2746683) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID2746683
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC NameN-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESN/C(=N\C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3O2/c16-11-4-1-9(2-5-11)13(20)22-14(23)10-3-6-12(21-7-10)24-8-15(17,18)19/h1-7H,8H2,(H2,20,22,23)
InChIKeyUGZUHDOTBSPJRC-UHFFFAOYSA-N
XLogP3.22
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 2746683) is N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is N/C(=N\C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is UGZUHDOTBSPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c16-11-4-1-9(2-5-11)13(20)22-14(23)10-3-6-12(21-7-10)24-8-15(17,18)19/h1-7H,8H2,(H2,20,22,23).
What are the key properties of N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 357.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-chlorophenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 2746683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).