5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde

C6H2BrClFNO — CID 131322690

IUPAC5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cnc(Cl)c1F
InChIInChI=1S/C6H2BrClFNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1-2H
InChIKeyBMCOSWISHLTTGH-UHFFFAOYSA-N
MW238.44 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde

5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde (PubChem CID 131322690) has the molecular formula C6H2BrClFNO and a molecular weight of 238.44 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
PubChem CID131322690
Molecular FormulaC6H2BrClFNO
Molecular Weight238.44 g/mol
Exact Mass236.90
IUPAC Name5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cnc(Cl)c1F
InChIInChI=1S/C6H2BrClFNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1-2H
InChIKeyBMCOSWISHLTTGH-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde?
The IUPAC name of 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde (CID 131322690) is 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde is O=Cc1c(Br)cnc(Cl)c1F.
What is the InChIKey of 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde?
The InChIKey is BMCOSWISHLTTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClFNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1-2H.
What are the key properties of 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde?
5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde has a molecular weight of 238.44 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 131322690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).