methyl 6-amino-2,3-dichlorobenzoate;hydrochloride

C8H8Cl3NO2 — CID 70564288

IUPACmethyl 6-amino-2,3-dichlorobenzoate;hydrochloride
SMILESCOC(=O)c1c(N)ccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H7Cl2NO2.ClH/c1-13-8(12)6-5(11)3-2-4(9)7(6)10;/h2-3H,11H2,1H3;1H
InChIKeyUOFBYJKNLZXSPW-UHFFFAOYSA-N
MW256.52 g/mol
LogP2.78
Rot. Bonds1

About methyl 6-amino-2,3-dichlorobenzoate;hydrochloride

methyl 6-amino-2,3-dichlorobenzoate;hydrochloride (PubChem CID 70564288) has the molecular formula C8H8Cl3NO2 and a molecular weight of 256.52 g/mol. Its IUPAC name is methyl 6-amino-2,3-dichlorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-amino-2,3-dichlorobenzoate;hydrochloride
PubChem CID70564288
Molecular FormulaC8H8Cl3NO2
Molecular Weight256.52 g/mol
Exact Mass254.96
IUPAC Namemethyl 6-amino-2,3-dichlorobenzoate;hydrochloride
SMILESCOC(=O)c1c(N)ccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H7Cl2NO2.ClH/c1-13-8(12)6-5(11)3-2-4(9)7(6)10;/h2-3H,11H2,1H3;1H
InChIKeyUOFBYJKNLZXSPW-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 3-amino-2,6-dichloro-4-methylbenzoate
CID 58277770
methyl 2-amino-6-chloro-3-iodobenzoate
CID 126738254
methyl 6-(3-aminobutyl)-2,3-dichlorobenzoate
CID 15731531
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
methyl 2,3-dichloro-6-(3-methoxy-3-oxopropyl)benzoate
CID 70566901
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
methyl 6-amino-2-fluoro-3-hydroxybenzoate
CID 84769545
methyl 6-amino-2-methyl-3-sulfanylbenzoate
CID 174304946
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
methyl 5-amino-2-chlorobenzoate
CID 5200412
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2,3-dichlorobenzoate;hydrochloride?
The IUPAC name of methyl 6-amino-2,3-dichlorobenzoate;hydrochloride (CID 70564288) is methyl 6-amino-2,3-dichlorobenzoate;hydrochloride.
What is the SMILES notation for methyl 6-amino-2,3-dichlorobenzoate;hydrochloride?
The canonical SMILES for methyl 6-amino-2,3-dichlorobenzoate;hydrochloride is COC(=O)c1c(N)ccc(Cl)c1Cl.Cl.
What is the InChIKey of methyl 6-amino-2,3-dichlorobenzoate;hydrochloride?
The InChIKey is UOFBYJKNLZXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2.ClH/c1-13-8(12)6-5(11)3-2-4(9)7(6)10;/h2-3H,11H2,1H3;1H.
What are the key properties of methyl 6-amino-2,3-dichlorobenzoate;hydrochloride?
methyl 6-amino-2,3-dichlorobenzoate;hydrochloride has a molecular weight of 256.52 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2,3-dichlorobenzoate;hydrochloride is sourced from PubChem (CID 70564288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).