2-chloro-4-cyanobenzohydrazide

C8H6ClN3O — CID 130952526

IUPAC2-chloro-4-cyanobenzohydrazide
SMILESN#Cc1ccc(C(=O)NN)c(Cl)c1
InChIInChI=1S/C8H6ClN3O/c9-7-3-5(4-10)1-2-6(7)8(13)12-11/h1-3H,11H2,(H,12,13)
InChIKeyQYURSTZUDAWVIB-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.82
Rot. Bonds1

About 2-chloro-4-cyanobenzohydrazide

2-chloro-4-cyanobenzohydrazide (PubChem CID 130952526) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-4-cyanobenzohydrazide.

Molecular Properties

Compound Name2-chloro-4-cyanobenzohydrazide
PubChem CID130952526
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-chloro-4-cyanobenzohydrazide
SMILESN#Cc1ccc(C(=O)NN)c(Cl)c1
InChIInChI=1S/C8H6ClN3O/c9-7-3-5(4-10)1-2-6(7)8(13)12-11/h1-3H,11H2,(H,12,13)
InChIKeyQYURSTZUDAWVIB-UHFFFAOYSA-N
XLogP0.82
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
N-(2-chloro-4-cyanophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107810316
(2-chloro-4-cyanophenyl)methyl 4-amino-2-chlorobenzoate
CID 102669571
2-chloro-4-propylbenzohydrazide
CID 138958414
4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359737
2-amino-3-chloro-5-cyano-N-ethylbenzamide
CID 130154016
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
methyl 2-chloro-5-cyanobenzoate
CID 16659388
4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575239
5-amino-2-(2-chloro-4-cyanoanilino)benzamide
CID 107809740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyanobenzohydrazide?
The IUPAC name of 2-chloro-4-cyanobenzohydrazide (CID 130952526) is 2-chloro-4-cyanobenzohydrazide.
What is the SMILES notation for 2-chloro-4-cyanobenzohydrazide?
The canonical SMILES for 2-chloro-4-cyanobenzohydrazide is N#Cc1ccc(C(=O)NN)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyanobenzohydrazide?
The InChIKey is QYURSTZUDAWVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-7-3-5(4-10)1-2-6(7)8(13)12-11/h1-3H,11H2,(H,12,13).
What are the key properties of 2-chloro-4-cyanobenzohydrazide?
2-chloro-4-cyanobenzohydrazide has a molecular weight of 195.61 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyanobenzohydrazide is sourced from PubChem (CID 130952526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).