3,5-dichloro-2-fluoropyridine-4-carbaldehyde

C6H2Cl2FNO — CID 146155135

IUPAC3,5-dichloro-2-fluoropyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6H2Cl2FNO/c7-4-1-10-6(9)5(8)3(4)2-11/h1-2H
InChIKeyGFJMJPCFSVNGLL-UHFFFAOYSA-N
MW193.99 g/mol
LogP2.34
Rot. Bonds1

About 3,5-dichloro-2-fluoropyridine-4-carbaldehyde

3,5-dichloro-2-fluoropyridine-4-carbaldehyde (PubChem CID 146155135) has the molecular formula C6H2Cl2FNO and a molecular weight of 193.99 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-fluoropyridine-4-carbaldehyde
PubChem CID146155135
Molecular FormulaC6H2Cl2FNO
Molecular Weight193.99 g/mol
Exact Mass192.95
IUPAC Name3,5-dichloro-2-fluoropyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6H2Cl2FNO/c7-4-1-10-6(9)5(8)3(4)2-11/h1-2H
InChIKeyGFJMJPCFSVNGLL-UHFFFAOYSA-N
XLogP2.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.99
LogP ≤ 52.34
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 3,5-dichloro-2-fluoropyridine-4-carbaldehyde?
The IUPAC name of 3,5-dichloro-2-fluoropyridine-4-carbaldehyde (CID 146155135) is 3,5-dichloro-2-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 3,5-dichloro-2-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 3,5-dichloro-2-fluoropyridine-4-carbaldehyde is O=Cc1c(Cl)cnc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2-fluoropyridine-4-carbaldehyde?
The InChIKey is GFJMJPCFSVNGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2FNO/c7-4-1-10-6(9)5(8)3(4)2-11/h1-2H.
What are the key properties of 3,5-dichloro-2-fluoropyridine-4-carbaldehyde?
3,5-dichloro-2-fluoropyridine-4-carbaldehyde has a molecular weight of 193.99 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 146155135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).