3-bromo-2-chloro-5-fluorobenzaldehyde

C7H3BrClFO — CID 118797003

IUPAC3-bromo-2-chloro-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(Br)c1Cl
InChIInChI=1S/C7H3BrClFO/c8-6-2-5(10)1-4(3-11)7(6)9/h1-3H
InChIKeyMELBOBDPFXOLBX-UHFFFAOYSA-N
MW237.45 g/mol
LogP3.05
Rot. Bonds1

About 3-bromo-2-chloro-5-fluorobenzaldehyde

3-bromo-2-chloro-5-fluorobenzaldehyde (PubChem CID 118797003) has the molecular formula C7H3BrClFO and a molecular weight of 237.45 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-chloro-5-fluorobenzaldehyde
PubChem CID118797003
Molecular FormulaC7H3BrClFO
Molecular Weight237.45 g/mol
Exact Mass235.90
IUPAC Name3-bromo-2-chloro-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(Br)c1Cl
InChIInChI=1S/C7H3BrClFO/c8-6-2-5(10)1-4(3-11)7(6)9/h1-3H
InChIKeyMELBOBDPFXOLBX-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-fluorobenzaldehyde?
The IUPAC name of 3-bromo-2-chloro-5-fluorobenzaldehyde (CID 118797003) is 3-bromo-2-chloro-5-fluorobenzaldehyde.
What is the SMILES notation for 3-bromo-2-chloro-5-fluorobenzaldehyde?
The canonical SMILES for 3-bromo-2-chloro-5-fluorobenzaldehyde is O=Cc1cc(F)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-5-fluorobenzaldehyde?
The InChIKey is MELBOBDPFXOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFO/c8-6-2-5(10)1-4(3-11)7(6)9/h1-3H.
What are the key properties of 3-bromo-2-chloro-5-fluorobenzaldehyde?
3-bromo-2-chloro-5-fluorobenzaldehyde has a molecular weight of 237.45 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-fluorobenzaldehyde is sourced from PubChem (CID 118797003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).