4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile

C14H8Cl3N3 — CID 4231773

IUPAC4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
SMILESN#Cc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H8Cl3N3/c15-11-5-12(16)14(13(17)6-11)20-19-8-10-3-1-9(7-18)2-4-10/h1-6,8,20H
InChIKeyZQRNXQZNMKLZMP-UHFFFAOYSA-N
MW324.60 g/mol
LogP4.96
Rot. Bonds3

About 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile

4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile (PubChem CID 4231773) has the molecular formula C14H8Cl3N3 and a molecular weight of 324.60 g/mol. Its IUPAC name is 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
PubChem CID4231773
Molecular FormulaC14H8Cl3N3
Molecular Weight324.60 g/mol
Exact Mass322.98
IUPAC Name4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
SMILESN#Cc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H8Cl3N3/c15-11-5-12(16)14(13(17)6-11)20-19-8-10-3-1-9(7-18)2-4-10/h1-6,8,20H
InChIKeyZQRNXQZNMKLZMP-UHFFFAOYSA-N
XLogP4.96
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.60
LogP ≤ 54.96
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'}

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Related Compounds

4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6050977
2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
CID 5223162
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553
4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
CID 4529137
4-[(E)-[[4-chloro-6-(3-chloroanilino)pyrimidin-2-yl]hydrazinylidene]methyl]benzonitrile
CID 25259849
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
CID 5097716
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzonitrile
CID 5099485
4-[(quinolin-2-ylhydrazinylidene)methyl]benzonitrile
CID 3537773
2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9232173

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile?
The IUPAC name of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile (CID 4231773) is 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile is N#Cc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile?
The InChIKey is ZQRNXQZNMKLZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3/c15-11-5-12(16)14(13(17)6-11)20-19-8-10-3-1-9(7-18)2-4-10/h1-6,8,20H.
What are the key properties of 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile?
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile has a molecular weight of 324.60 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 4231773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).