2-amino-5-bromo-4-chloro-3-methoxybenzoic acid

C8H7BrClNO3 — CID 90257890

IUPAC2-amino-5-bromo-4-chloro-3-methoxybenzoic acid
SMILESCOc1c(N)c(C(=O)O)cc(Br)c1Cl
InChIInChI=1S/C8H7BrClNO3/c1-14-7-5(10)4(9)2-3(6(7)11)8(12)13/h2H,11H2,1H3,(H,12,13)
InChIKeyOWLYIODCHRISQD-UHFFFAOYSA-N
MW280.50 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid

2-amino-5-bromo-4-chloro-3-methoxybenzoic acid (PubChem CID 90257890) has the molecular formula C8H7BrClNO3 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-bromo-4-chloro-3-methoxybenzoic acid
PubChem CID90257890
Molecular FormulaC8H7BrClNO3
Molecular Weight280.50 g/mol
Exact Mass278.93
IUPAC Name2-amino-5-bromo-4-chloro-3-methoxybenzoic acid
SMILESCOc1c(N)c(C(=O)O)cc(Br)c1Cl
InChIInChI=1S/C8H7BrClNO3/c1-14-7-5(10)4(9)2-3(6(7)11)8(12)13/h2H,11H2,1H3,(H,12,13)
InChIKeyOWLYIODCHRISQD-UHFFFAOYSA-N
XLogP2.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-3-chloro-4-methylbenzoic acid
CID 122552787
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
2-amino-6-bromo-3-chloro-4-methoxycarbonylbenzoic acid
CID 115356891
2-amino-3-methoxyterephthalic acid
CID 132516468
3-amino-4-chloro-2-methoxybenzoic acid
CID 84670289
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
3,5-dibromo-2-methoxybenzoic acid
CID 643392
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772
2-chloro-3-methoxyterephthalic acid
CID 126601706
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid?
The IUPAC name of 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid (CID 90257890) is 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid.
What is the SMILES notation for 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid?
The canonical SMILES for 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid is COc1c(N)c(C(=O)O)cc(Br)c1Cl.
What is the InChIKey of 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid?
The InChIKey is OWLYIODCHRISQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO3/c1-14-7-5(10)4(9)2-3(6(7)11)8(12)13/h2H,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid?
2-amino-5-bromo-4-chloro-3-methoxybenzoic acid has a molecular weight of 280.50 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-chloro-3-methoxybenzoic acid is sourced from PubChem (CID 90257890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).