5-amino-2-chlorobenzoyl chloride

C7H5Cl2NO — CID 86092283

IUPAC5-amino-2-chlorobenzoyl chloride
SMILESNc1ccc(Cl)c(C(=O)Cl)c1
InChIInChI=1S/C7H5Cl2NO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H,10H2
InChIKeyUJWDJWHRWHPTBY-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.30
Rot. Bonds1

About 5-amino-2-chlorobenzoyl chloride

5-amino-2-chlorobenzoyl chloride (PubChem CID 86092283) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 5-amino-2-chlorobenzoyl chloride.

Molecular Properties

Compound Name5-amino-2-chlorobenzoyl chloride
PubChem CID86092283
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name5-amino-2-chlorobenzoyl chloride
SMILESNc1ccc(Cl)c(C(=O)Cl)c1
InChIInChI=1S/C7H5Cl2NO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H,10H2
InChIKeyUJWDJWHRWHPTBY-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-chlorobenzoate
CID 5200412
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
3,4-dichloroaniline
CID 7257
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537
(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride
CID 6429540
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
ethoxymethyl 5-amino-2-chlorobenzoate
CID 65369551
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
2-(4-amino-2-chlorophenyl)-2-oxoacetaldehyde
CID 174493058

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chlorobenzoyl chloride?
The IUPAC name of 5-amino-2-chlorobenzoyl chloride (CID 86092283) is 5-amino-2-chlorobenzoyl chloride.
What is the SMILES notation for 5-amino-2-chlorobenzoyl chloride?
The canonical SMILES for 5-amino-2-chlorobenzoyl chloride is Nc1ccc(Cl)c(C(=O)Cl)c1.
What is the InChIKey of 5-amino-2-chlorobenzoyl chloride?
The InChIKey is UJWDJWHRWHPTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H,10H2.
What are the key properties of 5-amino-2-chlorobenzoyl chloride?
5-amino-2-chlorobenzoyl chloride has a molecular weight of 190.03 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chlorobenzoyl chloride is sourced from PubChem (CID 86092283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).