3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde

C14H9BrClFO3 — CID 87301645

IUPAC3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(Cl)c1.O=Cc1cccc(Br)c1O
InChIInChI=1S/C7H5BrO2.C7H4ClFO/c8-6-3-1-2-5(4-9)7(6)10;8-6-3-5(4-10)1-2-7(6)9/h1-4,10H;1-4H
InChIKeyQRWCOXAGISPNNC-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.26
Rot. Bonds2

About 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde

3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde (PubChem CID 87301645) has the molecular formula C14H9BrClFO3 and a molecular weight of 359.58 g/mol. Its IUPAC name is 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde
PubChem CID87301645
Molecular FormulaC14H9BrClFO3
Molecular Weight359.58 g/mol
Exact Mass357.94
IUPAC Name3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(Cl)c1.O=Cc1cccc(Br)c1O
InChIInChI=1S/C7H5BrO2.C7H4ClFO/c8-6-3-1-2-5(4-9)7(6)10;8-6-3-5(4-10)1-2-7(6)9/h1-4,10H;1-4H
InChIKeyQRWCOXAGISPNNC-UHFFFAOYSA-N
XLogP4.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 160982415
5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde
CID 164964246
4-fluoro-3-hydroxybenzaldehyde;tribromoborane
CID 160631935
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
CID 115504370
(E)-4-(3-chloro-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090853
3-chloro-4-(4-chlorophenoxy)benzaldehyde;3-chloro-4-fluorobenzaldehyde;4-chlorophenol
CID 164986492
3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
CID 86608680
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
CID 14832396
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476
3-[(E)-2-(3-bromo-2-chlorophenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde
CID 162497162
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde?
The IUPAC name of 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde (CID 87301645) is 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde.
What is the SMILES notation for 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde?
The canonical SMILES for 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde is O=Cc1ccc(F)c(Cl)c1.O=Cc1cccc(Br)c1O.
What is the InChIKey of 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde?
The InChIKey is QRWCOXAGISPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2.C7H4ClFO/c8-6-3-1-2-5(4-9)7(6)10;8-6-3-5(4-10)1-2-7(6)9/h1-4,10H;1-4H.
What are the key properties of 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde?
3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde has a molecular weight of 359.58 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde is sourced from PubChem (CID 87301645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).