methyl 3-bromo-4-formamido-2-hydroxybenzoate

C9H8BrNO4 — CID 168653334

IUPACmethyl 3-bromo-4-formamido-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC=O)c(Br)c1O
InChIInChI=1S/C9H8BrNO4/c1-15-9(14)5-2-3-6(11-4-12)7(10)8(5)13/h2-4,13H,1H3,(H,11,12)
InChIKeyPLOKGWMAVINAFT-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.51
Rot. Bonds3

About methyl 3-bromo-4-formamido-2-hydroxybenzoate

methyl 3-bromo-4-formamido-2-hydroxybenzoate (PubChem CID 168653334) has the molecular formula C9H8BrNO4 and a molecular weight of 274.07 g/mol. Its IUPAC name is methyl 3-bromo-4-formamido-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-bromo-4-formamido-2-hydroxybenzoate
PubChem CID168653334
Molecular FormulaC9H8BrNO4
Molecular Weight274.07 g/mol
Exact Mass272.96
IUPAC Namemethyl 3-bromo-4-formamido-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC=O)c(Br)c1O
InChIInChI=1S/C9H8BrNO4/c1-15-9(14)5-2-3-6(11-4-12)7(10)8(5)13/h2-4,13H,1H3,(H,11,12)
InChIKeyPLOKGWMAVINAFT-UHFFFAOYSA-N
XLogP1.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-bromo-4-chloro-2-hydroxybenzoate
CID 171027268
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 4-formamido-3-hydroxybenzoate
CID 91622889
methyl 2-bromo-6-formamidobenzoate
CID 177168055
methyl 4-bromo-3-formamidobenzoate
CID 122687075
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 3-bromo-2-cyano-4-formylbenzoate
CID 131497506
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 3-bromo-4-chloro-2-cyanobenzoate
CID 130621239
methyl 6-bromo-2-formylpyridine-3-carboxylate
CID 112757160

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-4-formamido-2-hydroxybenzoate?
The IUPAC name of methyl 3-bromo-4-formamido-2-hydroxybenzoate (CID 168653334) is methyl 3-bromo-4-formamido-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-bromo-4-formamido-2-hydroxybenzoate?
The canonical SMILES for methyl 3-bromo-4-formamido-2-hydroxybenzoate is COC(=O)c1ccc(NC=O)c(Br)c1O.
What is the InChIKey of methyl 3-bromo-4-formamido-2-hydroxybenzoate?
The InChIKey is PLOKGWMAVINAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO4/c1-15-9(14)5-2-3-6(11-4-12)7(10)8(5)13/h2-4,13H,1H3,(H,11,12).
What are the key properties of methyl 3-bromo-4-formamido-2-hydroxybenzoate?
methyl 3-bromo-4-formamido-2-hydroxybenzoate has a molecular weight of 274.07 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-4-formamido-2-hydroxybenzoate is sourced from PubChem (CID 168653334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).