methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate

C10H12BrNO3 — CID 151904268

IUPACmethyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
SMILESCOC(=O)c1c(N)c(C)cc(OC)c1Br
InChIInChI=1S/C10H12BrNO3/c1-5-4-6(14-2)8(11)7(9(5)12)10(13)15-3/h4H,12H2,1-3H3
InChIKeySTKDDQLAMMANRP-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.13
Rot. Bonds2

About methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate

methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate (PubChem CID 151904268) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
PubChem CID151904268
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
SMILESCOC(=O)c1c(N)c(C)cc(OC)c1Br
InChIInChI=1S/C10H12BrNO3/c1-5-4-6(14-2)8(11)7(9(5)12)10(13)15-3/h4H,12H2,1-3H3
InChIKeySTKDDQLAMMANRP-UHFFFAOYSA-N
XLogP2.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.13
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-3,5-dimethylbenzoate
CID 102741946
methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
CID 102741920
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
methyl 2-amino-6-bromo-3-methylbenzoate
CID 60836124
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 2,6-difluoro-3-methoxy-5-methylbenzoate
CID 90163848
methyl 3-amino-2-bromo-6-methylbenzoate
CID 131481645
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
methyl 3-amino-2,6-dichloro-4-methylbenzoate
CID 58277770
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate?
The IUPAC name of methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate (CID 151904268) is methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate.
What is the SMILES notation for methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate?
The canonical SMILES for methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate is COC(=O)c1c(N)c(C)cc(OC)c1Br.
What is the InChIKey of methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate?
The InChIKey is STKDDQLAMMANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-5-4-6(14-2)8(11)7(9(5)12)10(13)15-3/h4H,12H2,1-3H3.
What are the key properties of methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate?
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate has a molecular weight of 274.11 g/mol, XLogP of 2.13, 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-5-methoxy-3-methylbenzoate is sourced from PubChem (CID 151904268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).