(2-amino-4,5-dibromophenyl)methanol

C7H7Br2NO — CID 90154017

IUPAC(2-amino-4,5-dibromophenyl)methanol
SMILESNc1cc(Br)c(Br)cc1CO
InChIInChI=1S/C7H7Br2NO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2,11H,3,10H2
InChIKeyAGRHBGHAZCTJGN-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.29
Rot. Bonds1

About (2-amino-4,5-dibromophenyl)methanol

(2-amino-4,5-dibromophenyl)methanol (PubChem CID 90154017) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is (2-amino-4,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(2-amino-4,5-dibromophenyl)methanol
PubChem CID90154017
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name(2-amino-4,5-dibromophenyl)methanol
SMILESNc1cc(Br)c(Br)cc1CO
InChIInChI=1S/C7H7Br2NO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2,11H,3,10H2
InChIKeyAGRHBGHAZCTJGN-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-amino-4,5-dibromophenyl)methanol 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-4-bromo-5-(trifluoromethyl)phenyl]methanol
CID 131118686
lithium;alumane;2-amino-5-bromo-4-chlorobenzoic acid;(2-amino-5-bromo-4-chlorophenyl)methanol;hydride
CID 158252681
2-amino-5-bromo-4-(hydroxymethyl)benzoic acid
CID 142181531
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol
CID 130154047
(5-bromo-2,4-dimethylphenyl)methanol;ethane
CID 176929029
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
2-(2-amino-4-bromo-5-iodophenyl)acetic acid
CID 171033950
3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dibromophenyl)methanol?
The IUPAC name of (2-amino-4,5-dibromophenyl)methanol (CID 90154017) is (2-amino-4,5-dibromophenyl)methanol.
What is the SMILES notation for (2-amino-4,5-dibromophenyl)methanol?
The canonical SMILES for (2-amino-4,5-dibromophenyl)methanol is Nc1cc(Br)c(Br)cc1CO.
What is the InChIKey of (2-amino-4,5-dibromophenyl)methanol?
The InChIKey is AGRHBGHAZCTJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2,11H,3,10H2.
What are the key properties of (2-amino-4,5-dibromophenyl)methanol?
(2-amino-4,5-dibromophenyl)methanol has a molecular weight of 280.95 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dibromophenyl)methanol is sourced from PubChem (CID 90154017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).