methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate

C13H11BrN2O2 — CID 170556001

IUPACmethyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cnc(N)c(Br)c2)cc1
InChIInChI=1S/C13H11BrN2O2/c1-18-13(17)9-4-2-8(3-5-9)10-6-11(14)12(15)16-7-10/h2-7H,1H3,(H2,15,16)
InChIKeyVMXTYQXJOKYRLT-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.88
Rot. Bonds2

About methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate

methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate (PubChem CID 170556001) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate
PubChem CID170556001
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Namemethyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cnc(N)c(Br)c2)cc1
InChIInChI=1S/C13H11BrN2O2/c1-18-13(17)9-4-2-8(3-5-9)10-6-11(14)12(15)16-7-10/h2-7H,1H3,(H2,15,16)
InChIKeyVMXTYQXJOKYRLT-UHFFFAOYSA-N
XLogP2.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 178039598
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
CID 175443444
methyl 4-(6-amino-5-bromopyridazin-3-yl)benzoate;methyl 4-(6-aminopyridazin-3-yl)benzoate
CID 158639348
methyl 4-(4-bromo-3-carbamoylphenyl)benzoate
CID 170794910
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 4-[4-(5-ethoxy-3-pyridinyl)phenyl]benzoate
CID 171698039
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
2-amino-5-[4-(1-methoxyethenyl)phenyl]pyridin-3-ol
CID 143190295

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate?
The IUPAC name of methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate (CID 170556001) is methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate.
What is the SMILES notation for methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate?
The canonical SMILES for methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate is COC(=O)c1ccc(-c2cnc(N)c(Br)c2)cc1.
What is the InChIKey of methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate?
The InChIKey is VMXTYQXJOKYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-18-13(17)9-4-2-8(3-5-9)10-6-11(14)12(15)16-7-10/h2-7H,1H3,(H2,15,16).
What are the key properties of methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate?
methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate has a molecular weight of 307.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate is sourced from PubChem (CID 170556001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).