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

C10H12ClN3 — CID 82126720

IUPAC3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
SMILESCC(C#N)(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C10H12ClN3/c1-10(7-12,14-13)6-8-3-2-4-9(11)5-8/h2-5,14H,6,13H2,1H3
InChIKeyYJNCBUKXGMUPMT-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.63
Rot. Bonds3

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

3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile (PubChem CID 82126720) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
PubChem CID82126720
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
SMILESCC(C#N)(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C10H12ClN3/c1-10(7-12,14-13)6-8-3-2-4-9(11)5-8/h2-5,14H,6,13H2,1H3
InChIKeyYJNCBUKXGMUPMT-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

3-(4-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
CID 82126721
2-[(3-chlorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640481
4-[1-(3-chlorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481532
1-chloro-3-(2,2-dimethoxypropyl)benzene
CID 102600712
1-chloro-3-(2,2,2-tribromoethyl)benzene
CID 54491677
2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile
CID 117048203
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine
CID 60919276
2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
CID 119339868
(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 12013692
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The IUPAC name of 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile (CID 82126720) is 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile.
What is the SMILES notation for 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The canonical SMILES for 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile is CC(C#N)(Cc1cccc(Cl)c1)NN.
What is the InChIKey of 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
The InChIKey is YJNCBUKXGMUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-10(7-12,14-13)6-8-3-2-4-9(11)5-8/h2-5,14H,6,13H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile?
3-(3-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-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile is sourced from PubChem (CID 82126720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).