2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile

C16H11ClN4O — CID 169341344

IUPAC2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cccc(-c2cccc(Cl)c2NN=C(C#N)C#N)c1O
InChIInChI=1S/C16H11ClN4O/c1-10-4-2-6-13(16(10)22)12-5-3-7-14(17)15(12)21-20-11(8-18)9-19/h2-7,21-22H,1H3
InChIKeyYGPURONMEMDFEO-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.84
Rot. Bonds3

About 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169341344) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169341344
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cccc(-c2cccc(Cl)c2NN=C(C#N)C#N)c1O
InChIInChI=1S/C16H11ClN4O/c1-10-4-2-6-13(16(10)22)12-5-3-7-14(17)15(12)21-20-11(8-18)9-19/h2-7,21-22H,1H3
InChIKeyYGPURONMEMDFEO-UHFFFAOYSA-N
XLogP3.84
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-[2-chloro-6-(2-hydroxy-3-methylphenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979697
2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337369
2-[(2-chloro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337431
2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339103
2-chloro-6-methylphenol;yttrium
CID 178141464
2-[(2,6-dichloro-4-cyanophenyl)hydrazinylidene]propanedinitrile
CID 3049422
2-[2-(dicyanomethylidene)hydrazinyl]-6-methylbenzoic acid
CID 169337524
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-(3-chloro-2-pyrrolidin-1-ylphenyl)-6-methylphenol
CID 168515327
2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337694
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
2-(2-chloro-6-methylphenyl)acetonitrile
CID 54246120

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile (CID 169341344) is 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile is Cc1cccc(-c2cccc(Cl)c2NN=C(C#N)C#N)c1O.
What is the InChIKey of 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is YGPURONMEMDFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-10-4-2-6-13(16(10)22)12-5-3-7-14(17)15(12)21-20-11(8-18)9-19/h2-7,21-22H,1H3.
What are the key properties of 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 310.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).