methyl 2-amino-6-bromo-3-methylbenzoate

C9H10BrNO2 — CID 60836124

IUPACmethyl 2-amino-6-bromo-3-methylbenzoate
SMILESCOC(=O)c1c(Br)ccc(C)c1N
InChIInChI=1S/C9H10BrNO2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChIKeyACEGPJLOJQQWOM-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.13
Rot. Bonds1

About methyl 2-amino-6-bromo-3-methylbenzoate

methyl 2-amino-6-bromo-3-methylbenzoate (PubChem CID 60836124) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is methyl 2-amino-6-bromo-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-bromo-3-methylbenzoate
PubChem CID60836124
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Namemethyl 2-amino-6-bromo-3-methylbenzoate
SMILESCOC(=O)c1c(Br)ccc(C)c1N
InChIInChI=1S/C9H10BrNO2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChIKeyACEGPJLOJQQWOM-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 ≤ 500244.09
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

2-amino-6-bromo-3-methylbenzoic acid
CID 43629002
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
methyl 2-amino-6-bromo-3-cyanobenzoate
CID 171023287
methyl 2-amino-6-bromo-3,5-dimethylbenzoate
CID 102741946
methyl 3-amino-2-bromo-6-methylbenzoate
CID 131481645
methyl 3-bromo-2-iodo-6-methylbenzoate
CID 171033899
ethane;methyl 3-bromo-2-fluoro-6-methylbenzoate
CID 145446517
dimethyl 2-amino-4-methylbenzene-1,3-dicarboxylate
CID 70548009
methyl 6-bromo-3-hydroxy-2-methylbenzoate
CID 77058981
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
CID 151904268
methyl 2,6-dibromo-3-fluorobenzoate
CID 121228063
methyl 3-bromo-2-(difluoromethoxy)-6-methylbenzoate
CID 171010650

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-bromo-3-methylbenzoate?
The IUPAC name of methyl 2-amino-6-bromo-3-methylbenzoate (CID 60836124) is methyl 2-amino-6-bromo-3-methylbenzoate.
What is the SMILES notation for methyl 2-amino-6-bromo-3-methylbenzoate?
The canonical SMILES for methyl 2-amino-6-bromo-3-methylbenzoate is COC(=O)c1c(Br)ccc(C)c1N.
What is the InChIKey of methyl 2-amino-6-bromo-3-methylbenzoate?
The InChIKey is ACEGPJLOJQQWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3.
What are the key properties of methyl 2-amino-6-bromo-3-methylbenzoate?
methyl 2-amino-6-bromo-3-methylbenzoate has a molecular weight of 244.09 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-bromo-3-methylbenzoate is sourced from PubChem (CID 60836124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).