methyl 2-amino-6-chlorobenzoate;hydrochloride

C8H9Cl2NO2 — CID 84819290

IUPACmethyl 2-amino-6-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1c(N)cccc1Cl.Cl
InChIInChI=1S/C8H8ClNO2.ClH/c1-12-8(11)7-5(9)3-2-4-6(7)10;/h2-4H,10H2,1H3;1H
InChIKeyBETFGLGULASHNN-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.13
Rot. Bonds1

About methyl 2-amino-6-chlorobenzoate;hydrochloride

methyl 2-amino-6-chlorobenzoate;hydrochloride (PubChem CID 84819290) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is methyl 2-amino-6-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-6-chlorobenzoate;hydrochloride
PubChem CID84819290
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Namemethyl 2-amino-6-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1c(N)cccc1Cl.Cl
InChIInChI=1S/C8H8ClNO2.ClH/c1-12-8(11)7-5(9)3-2-4-6(7)10;/h2-4H,10H2,1H3;1H
InChIKeyBETFGLGULASHNN-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.13
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

methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
methyl 6-amino-2,3-dichlorobenzoate;hydrochloride
CID 70564288
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
methyl 2-chloro-6-hydrazinylbenzoate
CID 67291363
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
(2-ethoxy-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663104
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-chlorobenzoate;hydrochloride?
The IUPAC name of methyl 2-amino-6-chlorobenzoate;hydrochloride (CID 84819290) is methyl 2-amino-6-chlorobenzoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-6-chlorobenzoate;hydrochloride?
The canonical SMILES for methyl 2-amino-6-chlorobenzoate;hydrochloride is COC(=O)c1c(N)cccc1Cl.Cl.
What is the InChIKey of methyl 2-amino-6-chlorobenzoate;hydrochloride?
The InChIKey is BETFGLGULASHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.ClH/c1-12-8(11)7-5(9)3-2-4-6(7)10;/h2-4H,10H2,1H3;1H.
What are the key properties of methyl 2-amino-6-chlorobenzoate;hydrochloride?
methyl 2-amino-6-chlorobenzoate;hydrochloride has a molecular weight of 222.07 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-chlorobenzoate;hydrochloride is sourced from PubChem (CID 84819290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).