4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde

C12H7ClFNO — CID 118798759

IUPAC4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc(Cl)c(F)c2)cc1
InChIInChI=1S/C12H7ClFNO/c13-12-11(14)5-10(6-15-12)9-3-1-8(7-16)2-4-9/h1-7H
InChIKeyWGEVUJOYSYLOHN-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.35
Rot. Bonds2

About 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde

4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde (PubChem CID 118798759) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde
PubChem CID118798759
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc(Cl)c(F)c2)cc1
InChIInChI=1S/C12H7ClFNO/c13-12-11(14)5-10(6-15-12)9-3-1-8(7-16)2-4-9/h1-7H
InChIKeyWGEVUJOYSYLOHN-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.35
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 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde?
The IUPAC name of 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde (CID 118798759) is 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde?
The canonical SMILES for 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde is O=Cc1ccc(-c2cnc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde?
The InChIKey is WGEVUJOYSYLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-12-11(14)5-10(6-15-12)9-3-1-8(7-16)2-4-9/h1-7H.
What are the key properties of 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde?
4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde has a molecular weight of 235.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 118798759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).