4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde

C15H10Br2F2O4 — CID 160822889

IUPAC4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(F)cc1Br.O=Cc1cc(O)c(Br)cc1F
InChIInChI=1S/C8H6BrFO2.C7H4BrFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9;8-5-2-6(9)4(3-10)1-7(5)11/h2-4H,1H3;1-3,11H
InChIKeySFTXFTSYZBMENL-UHFFFAOYSA-N
MW452.05 g/mol
LogP4.52
Rot. Bonds3

About 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde

4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde (PubChem CID 160822889) has the molecular formula C15H10Br2F2O4 and a molecular weight of 452.05 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde
PubChem CID160822889
Molecular FormulaC15H10Br2F2O4
Molecular Weight452.05 g/mol
Exact Mass449.89
IUPAC Name4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(F)cc1Br.O=Cc1cc(O)c(Br)cc1F
InChIInChI=1S/C8H6BrFO2.C7H4BrFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9;8-5-2-6(9)4(3-10)1-7(5)11/h2-4H,1H3;1-3,11H
InChIKeySFTXFTSYZBMENL-UHFFFAOYSA-N
XLogP4.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.05
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde 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-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2-(2-bromoacetyl)-4-fluoro-5-methoxybenzaldehyde
CID 171009532
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-bromo-4-hydroxy-2-methoxybenzaldehyde;cyclohexanamine
CID 23291649
4-bromo-5-ethyl-2-fluorobenzaldehyde
CID 139490493
1-bromo-2,5-difluoro-4-methylbenzene;2,5-difluoro-4-methylbenzaldehyde
CID 160964271
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
CID 174569223
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde?
The IUPAC name of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde (CID 160822889) is 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde.
What is the SMILES notation for 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde?
The canonical SMILES for 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde is COc1cc(C=O)c(F)cc1Br.O=Cc1cc(O)c(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde?
The InChIKey is SFTXFTSYZBMENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2.C7H4BrFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9;8-5-2-6(9)4(3-10)1-7(5)11/h2-4H,1H3;1-3,11H.
What are the key properties of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde?
4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde has a molecular weight of 452.05 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde is sourced from PubChem (CID 160822889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).