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

C8H5BrClFO — CID 139346154

IUPAC2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
SMILESCc1c(Cl)cc(F)c(C=O)c1Br
InChIInChI=1S/C8H5BrClFO/c1-4-6(10)2-7(11)5(3-12)8(4)9/h2-3H,1H3
InChIKeyGAQACNGHRLGYNH-UHFFFAOYSA-N
MW251.48 g/mol
LogP3.36
Rot. Bonds1

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

2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde (PubChem CID 139346154) has the molecular formula C8H5BrClFO and a molecular weight of 251.48 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
PubChem CID139346154
Molecular FormulaC8H5BrClFO
Molecular Weight251.48 g/mol
Exact Mass249.92
IUPAC Name2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
SMILESCc1c(Cl)cc(F)c(C=O)c1Br
InChIInChI=1S/C8H5BrClFO/c1-4-6(10)2-7(11)5(3-12)8(4)9/h2-3H,1H3
InChIKeyGAQACNGHRLGYNH-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
CID 84732821
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
2,5-dibromo-3,6-dimethylterephthalaldehyde
CID 10936093
2-bromo-3,4,6-trifluoro-5-methylbenzaldehyde
CID 87145399
2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde
CID 88949536
2-chloro-4,6-difluorobenzaldehyde
CID 88504235
4,6-dibromo-2,5-dimethylbenzene-1,3-dicarbaldehyde
CID 10969238
2,5-dichloro-3,6-difluorobenzaldehyde
CID 51000168
2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde
CID 170904047
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
2-bromo-6-chloro-4-methylbenzaldehyde
CID 131261147

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde?
The IUPAC name of 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde (CID 139346154) is 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde.
What is the SMILES notation for 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde?
The canonical SMILES for 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde is Cc1c(Cl)cc(F)c(C=O)c1Br.
What is the InChIKey of 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde?
The InChIKey is GAQACNGHRLGYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO/c1-4-6(10)2-7(11)5(3-12)8(4)9/h2-3H,1H3.
What are the key properties of 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde?
2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde has a molecular weight of 251.48 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde is sourced from PubChem (CID 139346154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).