4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde

C9H9BrFNO — CID 166076413

IUPAC4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde
SMILESCN(C)c1cc(Br)cc(F)c1C=O
InChIInChI=1S/C9H9BrFNO/c1-12(2)9-4-6(10)3-8(11)7(9)5-13/h3-5H,1-2H3
InChIKeyVRUQXIQHQVTNDI-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.47
Rot. Bonds2

About 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde

4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde (PubChem CID 166076413) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde
PubChem CID166076413
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde
SMILESCN(C)c1cc(Br)cc(F)c1C=O
InChIInChI=1S/C9H9BrFNO/c1-12(2)9-4-6(10)3-8(11)7(9)5-13/h3-5H,1-2H3
InChIKeyVRUQXIQHQVTNDI-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde, (dimethylamino)-
CID 34289
2-(Dimethylamino)-5-fluorobenzaldehyde
CID 43312931
7-Bromo-1-methylquinolin-4(1H)-one
CID 78322735
2-Amino-4-bromo-5-fluorobenzaldehyde
CID 86726862
2-Amino-4-bromo-3-fluorobenzaldehyde
CID 125451958
7-Bromo-1-(2,4-difluorophenyl)-2-methyl-1,4-dihydro-4-oxoquinoline
CID 57326060
2-(Dimethylamino)-3-fluorobenzaldehyde
CID 92133621
2-(Dimethylamino)-3,4-difluorobenzaldehyde
CID 125424523
7-Bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde
CID 57326061
4-Bromo-2-(4-phenylpiperidin-1-yl)benz-aldehyde
CID 129753300
2-(4-Benzylpiperidin-1-yl)-4-bromobenzaldehyde
CID 129753467
5-Bromo-2-(piperidin-1-yl)benzaldehyde
CID 23091138

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde?
The IUPAC name of 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde (CID 166076413) is 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde.
What is the SMILES notation for 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde?
The canonical SMILES for 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde is CN(C)c1cc(Br)cc(F)c1C=O.
What is the InChIKey of 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde?
The InChIKey is VRUQXIQHQVTNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-12(2)9-4-6(10)3-8(11)7(9)5-13/h3-5H,1-2H3.
What are the key properties of 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde?
4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde has a molecular weight of 246.08 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(dimethylamino)-6-fluorobenzaldehyde is sourced from PubChem (CID 166076413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).