2-amino-5-bromo-4-fluorobenzaldehyde;methanol

C8H9BrFNO2 — CID 164870207

IUPAC2-amino-5-bromo-4-fluorobenzaldehyde;methanol
SMILESCO.Nc1cc(F)c(Br)cc1C=O
InChIInChI=1S/C7H5BrFNO.CH4O/c8-5-1-4(3-11)7(10)2-6(5)9;1-2/h1-3H,10H2;2H,1H3
InChIKeyLBSFOBOBNOLVKX-UHFFFAOYSA-N
MW250.07 g/mol
LogP1.59
Rot. Bonds1

About 2-amino-5-bromo-4-fluorobenzaldehyde;methanol

2-amino-5-bromo-4-fluorobenzaldehyde;methanol (PubChem CID 164870207) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluorobenzaldehyde;methanol.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluorobenzaldehyde;methanol
PubChem CID164870207
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC Name2-amino-5-bromo-4-fluorobenzaldehyde;methanol
SMILESCO.Nc1cc(F)c(Br)cc1C=O
InChIInChI=1S/C7H5BrFNO.CH4O/c8-5-1-4(3-11)7(10)2-6(5)9;1-2/h1-3H,10H2;2H,1H3
InChIKeyLBSFOBOBNOLVKX-UHFFFAOYSA-N
XLogP1.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromo-4-fluorobenzaldehyde;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

4-amino-5-bromo-2-fluorobenzaldehyde
CID 141286032
1-bromo-2,5-difluoro-4-methylbenzene;2,5-difluoro-4-methylbenzaldehyde
CID 160964271
4-bromo-2,5-difluoroaniline
CID 2773285
2-amino-4-bromo-5-chlorobenzaldehyde
CID 118953742
2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
CID 146196960
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
3-amino-5-bromo-2,4-dimethylbenzaldehyde
CID 129108724
5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
CID 53485944
tert-butyl N-(5-bromo-4-fluoro-2-formylphenyl)carbamate
CID 163399231
1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667362
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
CID 7172126

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluorobenzaldehyde;methanol?
The IUPAC name of 2-amino-5-bromo-4-fluorobenzaldehyde;methanol (CID 164870207) is 2-amino-5-bromo-4-fluorobenzaldehyde;methanol.
What is the SMILES notation for 2-amino-5-bromo-4-fluorobenzaldehyde;methanol?
The canonical SMILES for 2-amino-5-bromo-4-fluorobenzaldehyde;methanol is CO.Nc1cc(F)c(Br)cc1C=O.
What is the InChIKey of 2-amino-5-bromo-4-fluorobenzaldehyde;methanol?
The InChIKey is LBSFOBOBNOLVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO.CH4O/c8-5-1-4(3-11)7(10)2-6(5)9;1-2/h1-3H,10H2;2H,1H3.
What are the key properties of 2-amino-5-bromo-4-fluorobenzaldehyde;methanol?
2-amino-5-bromo-4-fluorobenzaldehyde;methanol has a molecular weight of 250.07 g/mol, XLogP of 1.59, 1 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-fluorobenzaldehyde;methanol is sourced from PubChem (CID 164870207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).