2-amino-3-bromo-5-methylbenzoic acid

C8H8BrNO2 — CID 2774400

IUPAC2-amino-3-bromo-5-methylbenzoic acid
SMILESCc1cc(Br)c(N)c(C(=O)O)c1
InChIInChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)
InChIKeyLCMZECCEEOQWLQ-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.04
Rot. Bonds1

About 2-amino-3-bromo-5-methylbenzoic acid

2-amino-3-bromo-5-methylbenzoic acid (PubChem CID 2774400) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-amino-3-bromo-5-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-3-bromo-5-methylbenzoic acid
PubChem CID2774400
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-amino-3-bromo-5-methylbenzoic acid
SMILESCc1cc(Br)c(N)c(C(=O)O)c1
InChIInChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)
InChIKeyLCMZECCEEOQWLQ-UHFFFAOYSA-N
XLogP2.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2,5-dimethylbenzoic acid
CID 59238245
propan-2-yl 2-amino-3-bromo-5-methylbenzoate
CID 60835807
4-amino-5-bromobenzene-1,3-dicarboxylic acid
CID 43828796
2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
CID 170699654
2-amino-5-bromo-3-chloro-4-methylbenzoic acid
CID 122552787
2-[(2-amino-2-oxoethyl)amino]-3-bromo-5-methylbenzoic acid
CID 18802739
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
bis(3-bromo-2,5-dimethylphenyl)methanone
CID 139698433
1-(3-bromo-2-iodo-5-methylphenyl)ethanone
CID 131429622
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
2-amino-3-bromo-5-[2-(dimethylamino)-1-hydroxyethyl]benzoic acid
CID 154398551

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-5-methylbenzoic acid?
The IUPAC name of 2-amino-3-bromo-5-methylbenzoic acid (CID 2774400) is 2-amino-3-bromo-5-methylbenzoic acid.
What is the SMILES notation for 2-amino-3-bromo-5-methylbenzoic acid?
The canonical SMILES for 2-amino-3-bromo-5-methylbenzoic acid is Cc1cc(Br)c(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-3-bromo-5-methylbenzoic acid?
The InChIKey is LCMZECCEEOQWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-bromo-5-methylbenzoic acid?
2-amino-3-bromo-5-methylbenzoic acid has a molecular weight of 230.06 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-5-methylbenzoic acid is sourced from PubChem (CID 2774400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).