3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine

C13H8Cl2F3N3O — CID 3957765

IUPAC3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine
SMILESFC(F)(F)Oc1ccc(C=NNc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C13H8Cl2F3N3O/c14-10-6-19-7-11(15)12(10)21-20-5-8-1-3-9(4-2-8)22-13(16,17)18/h1-7H,(H,19,21)
InChIKeyDFGZCDWUOQTWLP-UHFFFAOYSA-N
MW350.13 g/mol
LogP4.73
Rot. Bonds4

About 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine

3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine (PubChem CID 3957765) has the molecular formula C13H8Cl2F3N3O and a molecular weight of 350.13 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine
PubChem CID3957765
Molecular FormulaC13H8Cl2F3N3O
Molecular Weight350.13 g/mol
Exact Mass349.00
IUPAC Name3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine
SMILESFC(F)(F)Oc1ccc(C=NNc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C13H8Cl2F3N3O/c14-10-6-19-7-11(15)12(10)21-20-5-8-1-3-9(4-2-8)22-13(16,17)18/h1-7H,(H,19,21)
InChIKeyDFGZCDWUOQTWLP-UHFFFAOYSA-N
XLogP4.73
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine?
The IUPAC name of 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine (CID 3957765) is 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine.
What is the SMILES notation for 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine?
The canonical SMILES for 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine is FC(F)(F)Oc1ccc(C=NNc2c(Cl)cncc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine?
The InChIKey is DFGZCDWUOQTWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O/c14-10-6-19-7-11(15)12(10)21-20-5-8-1-3-9(4-2-8)22-13(16,17)18/h1-7H,(H,19,21).
What are the key properties of 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine?
3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine has a molecular weight of 350.13 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine is sourced from PubChem (CID 3957765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).