2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile

C13H8ClN5 — CID 169340013

IUPAC2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(-n2cccc2)ccc1Cl
InChIInChI=1S/C13H8ClN5/c14-12-4-3-11(19-5-1-2-6-19)7-13(12)18-17-10(8-15)9-16/h1-7,18H
InChIKeySELQTKIMRDCPEQ-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.95
Rot. Bonds3

About 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile

2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169340013) has the molecular formula C13H8ClN5 and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169340013
Molecular FormulaC13H8ClN5
Molecular Weight269.70 g/mol
Exact Mass269.05
IUPAC Name2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(-n2cccc2)ccc1Cl
InChIInChI=1S/C13H8ClN5/c14-12-4-3-11(19-5-1-2-6-19)7-13(12)18-17-10(8-15)9-16/h1-7,18H
InChIKeySELQTKIMRDCPEQ-UHFFFAOYSA-N
XLogP2.95
TPSA76.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.95
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-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338100
2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339282
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340237
2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
CID 169337512
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169339177
2-[(3-chloro-4-imidazol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169338632

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile (CID 169340013) is 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(-n2cccc2)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is SELQTKIMRDCPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5/c14-12-4-3-11(19-5-1-2-6-19)7-13(12)18-17-10(8-15)9-16/h1-7,18H.
What are the key properties of 2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile?
2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 269.70 g/mol, XLogP of 2.95, 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-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).