1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine

C10H10Cl2N2 — CID 105209754

IUPAC1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine
SMILESC#CC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C10H10Cl2N2/c1-2-7(14-13)6-8-9(11)4-3-5-10(8)12/h1,3-5,7,14H,6,13H2
InChIKeyAXZDCOXPJPHAQH-UHFFFAOYSA-N
MW229.11 g/mol
LogP2.00
Rot. Bonds3

About 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine

1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine (PubChem CID 105209754) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine
PubChem CID105209754
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine
SMILESC#CC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C10H10Cl2N2/c1-2-7(14-13)6-8-9(11)4-3-5-10(8)12/h1,3-5,7,14H,6,13H2
InChIKeyAXZDCOXPJPHAQH-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine
CID 105210833
1,3-dichloro-2-[2-[1-(2,6-dichlorophenyl)but-3-yn-2-yloxy]but-3-ynyl]benzene
CID 87557848
[5-chloro-1-(2,6-dichlorophenyl)pentan-2-yl]hydrazine
CID 105235514
1-pyridin-2-ylbut-3-yn-2-ylhydrazine
CID 105199857
[1-(2,6-dichlorophenyl)-4-methylidenehexan-2-yl]hydrazine
CID 105209839
[1-(2,6-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105293201
[1-(2,6-dichlorophenyl)-6,6-dimethylhept-4-yn-2-yl]hydrazine
CID 114190753
[1-(2,6-dichlorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105209757
[3-(2,6-dichlorophenyl)-1,1-diethoxypropan-2-yl]hydrazine
CID 105246265
[1-(2,6-dichlorophenyl)-4-methoxypentan-2-yl]hydrazine
CID 105266951
1-chloro-3-ethynyl-2-(2-methylpropyl)benzene
CID 88810766
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine?
The IUPAC name of 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine (CID 105209754) is 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine is C#CC(Cc1c(Cl)cccc1Cl)NN.
What is the InChIKey of 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine?
The InChIKey is AXZDCOXPJPHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-2-7(14-13)6-8-9(11)4-3-5-10(8)12/h1,3-5,7,14H,6,13H2.
What are the key properties of 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine?
1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine has a molecular weight of 229.11 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)but-3-yn-2-ylhydrazine is sourced from PubChem (CID 105209754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).