5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde

C9H8BrFO3 — CID 84710945

IUPAC5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
SMILESCOc1c(C=O)cc(Br)c(F)c1OC
InChIInChI=1S/C9H8BrFO3/c1-13-8-5(4-12)3-6(10)7(11)9(8)14-2/h3-4H,1-2H3
InChIKeyVNNAKSAJEAGVIC-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.42
Rot. Bonds3

About 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde

5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde (PubChem CID 84710945) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
PubChem CID84710945
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
SMILESCOc1c(C=O)cc(Br)c(F)c1OC
InChIInChI=1S/C9H8BrFO3/c1-13-8-5(4-12)3-6(10)7(11)9(8)14-2/h3-4H,1-2H3
InChIKeyVNNAKSAJEAGVIC-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde 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-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
4-(aminomethyl)-5-bromo-2,3-dimethoxybenzaldehyde
CID 84713721
3,5-dibromo-2,4-dimethoxybenzaldehyde
CID 42626303
2-(6-bromo-4-formyl-2,3-dimethoxyphenyl)acetic acid
CID 117487778
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
5-bromo-3-ethyl-2,4-difluorobenzaldehyde
CID 138676739
5-bromo-4-(1-hydroxycyclopropyl)-2,3-dimethoxybenzaldehyde
CID 117484846
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
5-bromo-2-methoxy-3-(2,2,2-trifluoroethyl)benzaldehyde
CID 59372473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde?
The IUPAC name of 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde (CID 84710945) is 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde is COc1c(C=O)cc(Br)c(F)c1OC.
What is the InChIKey of 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde?
The InChIKey is VNNAKSAJEAGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c1-13-8-5(4-12)3-6(10)7(11)9(8)14-2/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde?
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde has a molecular weight of 263.06 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 84710945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).