4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile

C11H6Cl2N4 — CID 64918738

IUPAC4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2N4/c12-8-2-1-7(6-14)9(5-8)15-11-4-3-10(13)16-17-11/h1-5H,(H,15,17)
InChIKeyNPZLOEHBEOLJHG-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.40
Rot. Bonds2

About 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile

4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile (PubChem CID 64918738) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
PubChem CID64918738
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2N4/c12-8-2-1-7(6-14)9(5-8)15-11-4-3-10(13)16-17-11/h1-5H,(H,15,17)
InChIKeyNPZLOEHBEOLJHG-UHFFFAOYSA-N
XLogP3.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
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4-chloro-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]benzonitrile
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4-chloro-2-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
CID 80915904
2-[(6-aminopyrazin-2-yl)amino]-4-chlorobenzonitrile
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3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile
CID 107792409
3-[(6-chloropyridazin-3-yl)amino]-4-methylbenzonitrile
CID 62105253
4-chloro-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
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4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile?
The IUPAC name of 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile (CID 64918738) is 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile is N#Cc1ccc(Cl)cc1Nc1ccc(Cl)nn1.
What is the InChIKey of 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile?
The InChIKey is NPZLOEHBEOLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-8-2-1-7(6-14)9(5-8)15-11-4-3-10(13)16-17-11/h1-5H,(H,15,17).
What are the key properties of 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile?
4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile has a molecular weight of 265.10 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile is sourced from PubChem (CID 64918738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).