3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile

C10H12ClN3 — CID 82126721

IUPAC3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
SMILESCC(C#N)(Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C10H12ClN3/c1-10(7-12,14-13)6-8-2-4-9(11)5-3-8/h2-5,14H,6,13H2,1H3
InChIKeyXICMXGQFYMQLKH-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.63
Rot. Bonds3

About 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile

3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile (PubChem CID 82126721) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
PubChem CID82126721
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
SMILESCC(C#N)(Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C10H12ClN3/c1-10(7-12,14-13)6-8-2-4-9(11)5-3-8/h2-5,14H,6,13H2,1H3
InChIKeyXICMXGQFYMQLKH-UHFFFAOYSA-N
XLogP1.63
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile
CID 82125509
3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
CID 82126720
2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
CID 82076008
3-(2-chloro-6-fluorophenyl)-2-hydrazinyl-2-methylpropanenitrile
CID 82128288
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-(4-chloroanilino)-2,4-dimethylpentanenitrile
CID 60987308
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
2-(4-chloroanilino)-2-methyl-4-phenylbutanenitrile
CID 60987654
2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
CID 15457246
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 58241667

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The IUPAC name of 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile (CID 82126721) is 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The canonical SMILES for 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile is CC(C#N)(Cc1ccc(Cl)cc1)NN.
What is the InChIKey of 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The InChIKey is XICMXGQFYMQLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-10(7-12,14-13)6-8-2-4-9(11)5-3-8/h2-5,14H,6,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile has a molecular weight of 209.68 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile is sourced from PubChem (CID 82126721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).