2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile

C9H5ClN4 — CID 2603

IUPAC2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(Cl)c1
InChIInChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H
InChIKeyUGTJLJZQQFGTJD-UHFFFAOYSA-N
MW204.62 g/mol
LogP2.16
Rot. Bonds2

About 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile

2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile (PubChem CID 2603) has the molecular formula C9H5ClN4 and a molecular weight of 204.62 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
PubChem CID2603
Molecular FormulaC9H5ClN4
Molecular Weight204.62 g/mol
Exact Mass204.02
IUPAC Name2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(Cl)c1
InChIInChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H
InChIKeyUGTJLJZQQFGTJD-UHFFFAOYSA-N
XLogP2.16
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(1E)-N-(3-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
CID 56693581
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
CID 169337738
2-[(3-chlorophenoxy)hydrazinylidene]propanedinitrile
CID 87788838
N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide
CID 2804250
2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338954
2-(3-chloroanilino)-1-oxoguanidine
CID 46183330
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169337979
N-(3-chloroanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 5063724
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339736
2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile (CID 2603) is 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is UGTJLJZQQFGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H.
What are the key properties of 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile?
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 204.62 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 2603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).