2-chloro-6-hydrazinylbenzonitrile;hydrochloride

C7H7Cl2N3 — CID 53416800

IUPAC2-chloro-6-hydrazinylbenzonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)cccc1NN
InChIInChI=1S/C7H6ClN3.ClH/c8-6-2-1-3-7(11-10)5(6)4-9;/h1-3,11H,10H2;1H
InChIKeyKZUXSIZAGCPUGF-UHFFFAOYSA-N
MW204.06 g/mol
LogP1.92
Rot. Bonds1

About 2-chloro-6-hydrazinylbenzonitrile;hydrochloride

2-chloro-6-hydrazinylbenzonitrile;hydrochloride (PubChem CID 53416800) has the molecular formula C7H7Cl2N3 and a molecular weight of 204.06 g/mol. Its IUPAC name is 2-chloro-6-hydrazinylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-hydrazinylbenzonitrile;hydrochloride
PubChem CID53416800
Molecular FormulaC7H7Cl2N3
Molecular Weight204.06 g/mol
Exact Mass203.00
IUPAC Name2-chloro-6-hydrazinylbenzonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)cccc1NN
InChIInChI=1S/C7H6ClN3.ClH/c8-6-2-1-3-7(11-10)5(6)4-9;/h1-3,11H,10H2;1H
InChIKeyKZUXSIZAGCPUGF-UHFFFAOYSA-N
XLogP1.92
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 51.92
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-chloro-6-(2,6-dichloroanilino)benzonitrile
CID 65468244
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808
2-chloro-6-(4-iodoanilino)benzonitrile
CID 55195945
2-hydrazinyl-6-(hydroxymethyl)benzonitrile
CID 118835800
2-chloro-6-(furan-2-ylmethylamino)benzonitrile
CID 60678752
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
2-[(3-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 62500403
2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile
CID 63252046
N-(3-chloro-2-cyanophenyl)benzamide
CID 102229158
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100
2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile
CID 63258366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinylbenzonitrile;hydrochloride?
The IUPAC name of 2-chloro-6-hydrazinylbenzonitrile;hydrochloride (CID 53416800) is 2-chloro-6-hydrazinylbenzonitrile;hydrochloride.
What is the SMILES notation for 2-chloro-6-hydrazinylbenzonitrile;hydrochloride?
The canonical SMILES for 2-chloro-6-hydrazinylbenzonitrile;hydrochloride is Cl.N#Cc1c(Cl)cccc1NN.
What is the InChIKey of 2-chloro-6-hydrazinylbenzonitrile;hydrochloride?
The InChIKey is KZUXSIZAGCPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3.ClH/c8-6-2-1-3-7(11-10)5(6)4-9;/h1-3,11H,10H2;1H.
What are the key properties of 2-chloro-6-hydrazinylbenzonitrile;hydrochloride?
2-chloro-6-hydrazinylbenzonitrile;hydrochloride has a molecular weight of 204.06 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinylbenzonitrile;hydrochloride is sourced from PubChem (CID 53416800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).