4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde

C8H7BrFNO — CID 174180039

IUPAC4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde
SMILESCc1c(F)c(N)cc(Br)c1C=O
InChIInChI=1S/C8H7BrFNO/c1-4-5(3-12)6(9)2-7(11)8(4)10/h2-3H,11H2,1H3
InChIKeyOUMWKSFSYUAMPP-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.29
Rot. Bonds1

About 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde

4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde (PubChem CID 174180039) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde
PubChem CID174180039
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde
SMILESCc1c(F)c(N)cc(Br)c1C=O
InChIInChI=1S/C8H7BrFNO/c1-4-5(3-12)6(9)2-7(11)8(4)10/h2-3H,11H2,1H3
InChIKeyOUMWKSFSYUAMPP-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde 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-3-fluoro-2-methyl-6-methylsulfanylbenzaldehyde
CID 170421497
2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
4-bromo-2-fluoro-3-methyl-6-(trifluoromethyl)benzaldehyde
CID 163388439
2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde
CID 88949536
2,4-dibromo-6-methylbenzaldehyde
CID 102195216
2-bromo-3,4,6-trifluoro-5-methylbenzaldehyde
CID 87145399
4-bromo-3-fluoro-2-(methyliminomethyl)aniline
CID 146323863
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene
CID 162025130
2,3-dibromo-5,6-difluorobenzaldehyde
CID 51000178
6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde
CID 155413959
(3,5-difluoro-2-formyl-4-methylphenyl)boronic acid
CID 155293780

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde?
The IUPAC name of 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde (CID 174180039) is 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde.
What is the SMILES notation for 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde?
The canonical SMILES for 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde is Cc1c(F)c(N)cc(Br)c1C=O.
What is the InChIKey of 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde?
The InChIKey is OUMWKSFSYUAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-4-5(3-12)6(9)2-7(11)8(4)10/h2-3H,11H2,1H3.
What are the key properties of 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde?
4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde has a molecular weight of 232.05 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde is sourced from PubChem (CID 174180039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).