3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine

C13H7Cl3F3N3 — CID 3673979

IUPAC3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
SMILESFC(F)(F)c1ccc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl3F3N3/c14-9-5-10(15)12(21-11(9)16)22-20-6-7-1-3-8(4-2-7)13(17,18)19/h1-6H,(H,21,22)
InChIKeyZZIQYMAQRQJLMU-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.51
Rot. Bonds3

About 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine

3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine (PubChem CID 3673979) has the molecular formula C13H7Cl3F3N3 and a molecular weight of 368.57 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
PubChem CID3673979
Molecular FormulaC13H7Cl3F3N3
Molecular Weight368.57 g/mol
Exact Mass366.97
IUPAC Name3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
SMILESFC(F)(F)c1ccc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl3F3N3/c14-9-5-10(15)12(21-11(9)16)22-20-6-7-1-3-8(4-2-7)13(17,18)19/h1-6H,(H,21,22)
InChIKeyZZIQYMAQRQJLMU-UHFFFAOYSA-N
XLogP5.51
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine (CID 3673979) is 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine is FC(F)(F)c1ccc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
The InChIKey is ZZIQYMAQRQJLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3N3/c14-9-5-10(15)12(21-11(9)16)22-20-6-7-1-3-8(4-2-7)13(17,18)19/h1-6H,(H,21,22).
What are the key properties of 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine has a molecular weight of 368.57 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 3673979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).