3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde

C12H7ClFNO — CID 169447869

IUPAC3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1cc(Cl)ccc1F
InChIInChI=1S/C12H7ClFNO/c13-9-1-2-12(14)10(5-9)11-6-15-4-3-8(11)7-16/h1-7H
InChIKeyFRPGTEWRVPSXAE-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.35
Rot. Bonds2

About 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde

3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde (PubChem CID 169447869) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
PubChem CID169447869
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1cc(Cl)ccc1F
InChIInChI=1S/C12H7ClFNO/c13-9-1-2-12(14)10(5-9)11-6-15-4-3-8(11)7-16/h1-7H
InChIKeyFRPGTEWRVPSXAE-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde (CID 169447869) is 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde is O=Cc1ccncc1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde?
The InChIKey is FRPGTEWRVPSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-9-1-2-12(14)10(5-9)11-6-15-4-3-8(11)7-16/h1-7H.
What are the key properties of 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde?
3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde 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 3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 169447869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).