3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine

C12H7Cl4N3 — CID 2726346

IUPAC3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine
SMILESClc1cccc(Cl)c1C=NNc1c(Cl)cncc1Cl
InChIInChI=1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-6H,(H,17,19)
InChIKeyNRQUAVYOAZGFFD-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.14
Rot. Bonds3

About 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine

3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine (PubChem CID 2726346) has the molecular formula C12H7Cl4N3 and a molecular weight of 335.02 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine
PubChem CID2726346
Molecular FormulaC12H7Cl4N3
Molecular Weight335.02 g/mol
Exact Mass332.94
IUPAC Name3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine
SMILESClc1cccc(Cl)c1C=NNc1c(Cl)cncc1Cl
InChIInChI=1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-6H,(H,17,19)
InChIKeyNRQUAVYOAZGFFD-UHFFFAOYSA-N
XLogP5.14
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
The IUPAC name of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine (CID 2726346) is 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine.
What is the SMILES notation for 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
The canonical SMILES for 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine is Clc1cccc(Cl)c1C=NNc1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
The InChIKey is NRQUAVYOAZGFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-6H,(H,17,19).
What are the key properties of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine has a molecular weight of 335.02 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine is sourced from PubChem (CID 2726346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).