2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone

C9H10BrNO3 — CID 84806317

IUPAC2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN)c(O)c(Br)c1O
InChIInChI=1S/C9H10BrNO3/c1-4-2-5(6(12)3-11)9(14)7(10)8(4)13/h2,13-14H,3,11H2,1H3
InChIKeyBEHDKPSIPIGHAC-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone

2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone (PubChem CID 84806317) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
PubChem CID84806317
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN)c(O)c(Br)c1O
InChIInChI=1S/C9H10BrNO3/c1-4-2-5(6(12)3-11)9(14)7(10)8(4)13/h2,13-14H,3,11H2,1H3
InChIKeyBEHDKPSIPIGHAC-UHFFFAOYSA-N
XLogP1.31
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone 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

2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone
CID 83843485
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 84665966
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
CID 117398348
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
CID 84806364
2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
CID 84709311
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone
CID 117299466
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone (CID 84806317) is 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone is Cc1cc(C(=O)CN)c(O)c(Br)c1O.
What is the InChIKey of 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone?
The InChIKey is BEHDKPSIPIGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-4-2-5(6(12)3-11)9(14)7(10)8(4)13/h2,13-14H,3,11H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone?
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone has a molecular weight of 260.09 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone is sourced from PubChem (CID 84806317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).