2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride

C7H7Cl3N2O2 — CID 118454995

IUPAC2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride
SMILESCl.NNc1cc(Cl)c(C(=O)O)c(Cl)c1
InChIInChI=1S/C7H6Cl2N2O2.ClH/c8-4-1-3(11-10)2-5(9)6(4)7(12)13;/h1-2,11H,10H2,(H,12,13);1H
InChIKeyRQZSXKZDFUHJCR-UHFFFAOYSA-N
MW257.50 g/mol
LogP2.40
Rot. Bonds2

About 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride

2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride (PubChem CID 118454995) has the molecular formula C7H7Cl3N2O2 and a molecular weight of 257.50 g/mol. Its IUPAC name is 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride
PubChem CID118454995
Molecular FormulaC7H7Cl3N2O2
Molecular Weight257.50 g/mol
Exact Mass255.96
IUPAC Name2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride
SMILESCl.NNc1cc(Cl)c(C(=O)O)c(Cl)c1
InChIInChI=1S/C7H6Cl2N2O2.ClH/c8-4-1-3(11-10)2-5(9)6(4)7(12)13;/h1-2,11H,10H2,(H,12,13);1H
InChIKeyRQZSXKZDFUHJCR-UHFFFAOYSA-N
XLogP2.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.50
LogP ≤ 52.40
H-Bond Donors ≤ 53
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

2,4,6-trichlorobenzoic acid;2,4,6-trichlorobenzoyl chloride
CID 161186868
3-bromo-5-hydrazinylbenzoic acid;hydrochloride
CID 90375905
2-(4-chlorophenyl)-2-(2,6-dichloro-4-hydrazinylphenyl)ethanol
CID 70229693
[3,5-dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 154931725
2,3,5-trichloro-6-fluorobenzoic acid
CID 142663386
2-amino-4-chlorothiophene-3-carboxylic acid
CID 71429266
CID 11251659
CID 11251659
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
2-(carboxymethylamino)-3,4,6-trichlorobenzoic acid
CID 165355288
N'-(3,4-dichlorophenyl)acetohydrazide;(3,4-dichlorophenyl)hydrazine;vanadium;hydrochloride
CID 159794612
2,6-dichloro-4-fluorobenzoic acid;methyl 4-amino-2,6-dichlorobenzoate
CID 162087567
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride?
The IUPAC name of 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride (CID 118454995) is 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride.
What is the SMILES notation for 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride?
The canonical SMILES for 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride is Cl.NNc1cc(Cl)c(C(=O)O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride?
The InChIKey is RQZSXKZDFUHJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2.ClH/c8-4-1-3(11-10)2-5(9)6(4)7(12)13;/h1-2,11H,10H2,(H,12,13);1H.
What are the key properties of 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride?
2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride has a molecular weight of 257.50 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-hydrazinylbenzoic acid;hydrochloride is sourced from PubChem (CID 118454995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).