6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde

C9H7BrClFO — CID 155413959

IUPAC6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde
SMILESCCc1c(Cl)cc(Br)c(C=O)c1F
InChIInChI=1S/C9H7BrClFO/c1-2-5-8(11)3-7(10)6(4-13)9(5)12/h3-4H,2H2,1H3
InChIKeyBLKOGYWFHABYHR-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.62
Rot. Bonds2

About 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde

6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde (PubChem CID 155413959) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde.

Molecular Properties

Compound Name6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde
PubChem CID155413959
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde
SMILESCCc1c(Cl)cc(Br)c(C=O)c1F
InChIInChI=1S/C9H7BrClFO/c1-2-5-8(11)3-7(10)6(4-13)9(5)12/h3-4H,2H2,1H3
InChIKeyBLKOGYWFHABYHR-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde 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

5-bromo-3-ethyl-2,4-difluorobenzaldehyde
CID 138676739
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
2-bromo-6-chloro-4-methylbenzaldehyde
CID 131261147
2,4,6-triethylbenzene-1,3-dicarbaldehyde
CID 14870631
5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
CID 131322690
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
4-[2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-ethyl-2,6-difluorobenzaldehyde
CID 139490433
2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
CID 139346154
4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde
CID 174180039
1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene
CID 178026499
1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
CID 163849495
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde?
The IUPAC name of 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde (CID 155413959) is 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde.
What is the SMILES notation for 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde?
The canonical SMILES for 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde is CCc1c(Cl)cc(Br)c(C=O)c1F.
What is the InChIKey of 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde?
The InChIKey is BLKOGYWFHABYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c1-2-5-8(11)3-7(10)6(4-13)9(5)12/h3-4H,2H2,1H3.
What are the key properties of 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde?
6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde has a molecular weight of 265.51 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde is sourced from PubChem (CID 155413959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).