2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol

C9H11Br2NO2 — CID 131025607

IUPAC2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol
SMILESNC(CO)Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H11Br2NO2/c10-6-1-5(2-7(12)4-13)9(14)8(11)3-6/h1,3,7,13-14H,2,4,12H2
InChIKeyIDZZORPIONCBSD-UHFFFAOYSA-N
MW325.00 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol

2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol (PubChem CID 131025607) has the molecular formula C9H11Br2NO2 and a molecular weight of 325.00 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol.

Molecular Properties

Compound Name2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol
PubChem CID131025607
Molecular FormulaC9H11Br2NO2
Molecular Weight325.00 g/mol
Exact Mass322.92
IUPAC Name2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol
SMILESNC(CO)Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H11Br2NO2/c10-6-1-5(2-7(12)4-13)9(14)8(11)3-6/h1,3,7,13-14H,2,4,12H2
InChIKeyIDZZORPIONCBSD-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol 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-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993
2,4-dibromo-6-(2-bromoethyl)phenol
CID 174691001
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172
2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol
CID 130989106
2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride
CID 170892477
2,4-dibromo-6-(diazenylmethyl)phenol
CID 67749909
2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol
CID 154285316
2-amino-4,6-dibromophenol;hydrochloride
CID 3063405
2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride
CID 170893389
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
CID 171197693
2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride
CID 170893490

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol?
The IUPAC name of 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol (CID 131025607) is 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol.
What is the SMILES notation for 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol?
The canonical SMILES for 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol is NC(CO)Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol?
The InChIKey is IDZZORPIONCBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO2/c10-6-1-5(2-7(12)4-13)9(14)8(11)3-6/h1,3,7,13-14H,2,4,12H2.
What are the key properties of 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol?
2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol has a molecular weight of 325.00 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol is sourced from PubChem (CID 131025607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).