2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile

C10H7ClN4O — CID 169337574

IUPAC2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
SMILESCOc1ccc(Cl)c(NN=C(C#N)C#N)c1
InChIInChI=1S/C10H7ClN4O/c1-16-8-2-3-9(11)10(4-8)15-14-7(5-12)6-13/h2-4,15H,1H3
InChIKeySZYOCFZHBCDQFP-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.16
Rot. Bonds3

About 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile

2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169337574) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID169337574
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
SMILESCOc1ccc(Cl)c(NN=C(C#N)C#N)c1
InChIInChI=1S/C10H7ClN4O/c1-16-8-2-3-9(11)10(4-8)15-14-7(5-12)6-13/h2-4,15H,1H3
InChIKeySZYOCFZHBCDQFP-UHFFFAOYSA-N
XLogP2.16
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 52.16
H-Bond Donors ≤ 51
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

2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
CID 169341790
N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
CID 169338288
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169340013
2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338100
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341784
2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341142
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
CID 169337512
methyl 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 169341688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile (CID 169337574) is 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile is COc1ccc(Cl)c(NN=C(C#N)C#N)c1.
What is the InChIKey of 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is SZYOCFZHBCDQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c1-16-8-2-3-9(11)10(4-8)15-14-7(5-12)6-13/h2-4,15H,1H3.
What are the key properties of 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile?
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 234.65 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).