2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride

C23H19Cl4N3 — CID 122217199

IUPAC2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride
SMILESCc1cc(Cl)cc(C)c1/N=C(\Cl)c1cccc(/C(Cl)=N/c2c(C)cc(Cl)cc2C)n1
InChIInChI=1S/C23H19Cl4N3/c1-12-8-16(24)9-13(2)20(12)29-22(26)18-6-5-7-19(28-18)23(27)30-21-14(3)10-17(25)11-15(21)4/h5-11H,1-4H3/b29-22-,30-23-
InChIKeySJLRBCOTRCRBMD-TVUQKFFQSA-N
MW479.24 g/mol
LogP8.26
Rot. Bonds4

About 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride

2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride (PubChem CID 122217199) has the molecular formula C23H19Cl4N3 and a molecular weight of 479.24 g/mol. Its IUPAC name is 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride.

Molecular Properties

Compound Name2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride
PubChem CID122217199
Molecular FormulaC23H19Cl4N3
Molecular Weight479.24 g/mol
Exact Mass477.03
IUPAC Name2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride
SMILESCc1cc(Cl)cc(C)c1/N=C(\Cl)c1cccc(/C(Cl)=N/c2c(C)cc(Cl)cc2C)n1
InChIInChI=1S/C23H19Cl4N3/c1-12-8-16(24)9-13(2)20(12)29-22(26)18-6-5-7-19(28-18)23(27)30-21-14(3)10-17(25)11-15(21)4/h5-11H,1-4H3/b29-22-,30-23-
InChIKeySJLRBCOTRCRBMD-TVUQKFFQSA-N
XLogP8.26
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.24
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride?
The IUPAC name of 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride (CID 122217199) is 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride.
What is the SMILES notation for 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride?
The canonical SMILES for 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride is Cc1cc(Cl)cc(C)c1/N=C(\Cl)c1cccc(/C(Cl)=N/c2c(C)cc(Cl)cc2C)n1.
What is the InChIKey of 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride?
The InChIKey is SJLRBCOTRCRBMD-TVUQKFFQSA-N. The full InChI is InChI=1S/C23H19Cl4N3/c1-12-8-16(24)9-13(2)20(12)29-22(26)18-6-5-7-19(28-18)23(27)30-21-14(3)10-17(25)11-15(21)4/h5-11H,1-4H3/b29-22-,30-23-.
What are the key properties of 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride?
2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride has a molecular weight of 479.24 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride is sourced from PubChem (CID 122217199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).