methyl 2-amino-6-bromo-3-methoxybenzoate

C9H10BrNO3 — CID 61070417

IUPACmethyl 2-amino-6-bromo-3-methoxybenzoate
SMILESCOC(=O)c1c(Br)ccc(OC)c1N
InChIInChI=1S/C9H10BrNO3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,11H2,1-2H3
InChIKeyNHBKZQWBKIVEBP-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.83
Rot. Bonds2

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

methyl 2-amino-6-bromo-3-methoxybenzoate (PubChem CID 61070417) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 2-amino-6-bromo-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-bromo-3-methoxybenzoate
PubChem CID61070417
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namemethyl 2-amino-6-bromo-3-methoxybenzoate
SMILESCOC(=O)c1c(Br)ccc(OC)c1N
InChIInChI=1S/C9H10BrNO3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,11H2,1-2H3
InChIKeyNHBKZQWBKIVEBP-UHFFFAOYSA-N
XLogP1.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-bromo-3-methylbenzoate
CID 60836124
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
methyl 2-amino-6-bromo-3-cyanobenzoate
CID 171023287
2-amino-3-bromo-6-methoxybenzoic acid
CID 62378772
methyl 2-amino-3-cyano-6-methoxybenzoate
CID 178130883
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
CID 151904268
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
methyl 3-amino-2-fluoro-4-methoxybenzoate
CID 84668671
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
methyl 6-bromo-3-(2,2-difluoroethoxy)-2-methylbenzoate
CID 171369237
methyl 2-amino-4-bromo-6-methoxy-3-nitrobenzoate
CID 86648221
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-bromo-3-methoxybenzoate?
The IUPAC name of methyl 2-amino-6-bromo-3-methoxybenzoate (CID 61070417) is methyl 2-amino-6-bromo-3-methoxybenzoate.
What is the SMILES notation for methyl 2-amino-6-bromo-3-methoxybenzoate?
The canonical SMILES for methyl 2-amino-6-bromo-3-methoxybenzoate is COC(=O)c1c(Br)ccc(OC)c1N.
What is the InChIKey of methyl 2-amino-6-bromo-3-methoxybenzoate?
The InChIKey is NHBKZQWBKIVEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,11H2,1-2H3.
What are the key properties of methyl 2-amino-6-bromo-3-methoxybenzoate?
methyl 2-amino-6-bromo-3-methoxybenzoate has a molecular weight of 260.09 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-bromo-3-methoxybenzoate is sourced from PubChem (CID 61070417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).