4-amino-5-bromo-2-fluorobenzaldehyde

C7H5BrFNO — CID 141286032

IUPAC4-amino-5-bromo-2-fluorobenzaldehyde
SMILESNc1cc(F)c(C=O)cc1Br
InChIInChI=1S/C7H5BrFNO/c8-5-1-4(3-11)6(9)2-7(5)10/h1-3H,10H2
InChIKeyCTPQYGKWZQCINL-UHFFFAOYSA-N
MW218.02 g/mol
LogP1.98
Rot. Bonds1

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

4-amino-5-bromo-2-fluorobenzaldehyde (PubChem CID 141286032) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 4-amino-5-bromo-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-amino-5-bromo-2-fluorobenzaldehyde
PubChem CID141286032
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name4-amino-5-bromo-2-fluorobenzaldehyde
SMILESNc1cc(F)c(C=O)cc1Br
InChIInChI=1S/C7H5BrFNO/c8-5-1-4(3-11)6(9)2-7(5)10/h1-3H,10H2
InChIKeyCTPQYGKWZQCINL-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 51.98
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'}

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Related Compounds

2-amino-5-bromo-4-fluorobenzaldehyde;methanol
CID 164870207
4-amino-2-fluoro-5-(trifluoromethyl)benzaldehyde
CID 118846166
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
4-bromo-5-ethyl-2-fluorobenzaldehyde
CID 139490493
5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 131075471
1-bromo-2,5-difluoro-4-methylbenzene;2,5-difluoro-4-methylbenzaldehyde
CID 160964271
5-bromo-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
CID 143152028
4-bromo-2,5-difluoroaniline
CID 2773285
5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
CID 53485944
2-amino-4-bromo-5-chlorobenzaldehyde
CID 118953742

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-2-fluorobenzaldehyde?
The IUPAC name of 4-amino-5-bromo-2-fluorobenzaldehyde (CID 141286032) is 4-amino-5-bromo-2-fluorobenzaldehyde.
What is the SMILES notation for 4-amino-5-bromo-2-fluorobenzaldehyde?
The canonical SMILES for 4-amino-5-bromo-2-fluorobenzaldehyde is Nc1cc(F)c(C=O)cc1Br.
What is the InChIKey of 4-amino-5-bromo-2-fluorobenzaldehyde?
The InChIKey is CTPQYGKWZQCINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-5-1-4(3-11)6(9)2-7(5)10/h1-3H,10H2.
What are the key properties of 4-amino-5-bromo-2-fluorobenzaldehyde?
4-amino-5-bromo-2-fluorobenzaldehyde has a molecular weight of 218.02 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-2-fluorobenzaldehyde is sourced from PubChem (CID 141286032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).