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

C12H7ClFNO — CID 119011703

IUPAC2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C12H7ClFNO/c13-12-11(9(7-16)5-6-15-12)8-1-3-10(14)4-2-8/h1-7H
InChIKeyUVHYBPMNSYISPI-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.35
Rot. Bonds2

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

2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde (PubChem CID 119011703) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde
PubChem CID119011703
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C12H7ClFNO/c13-12-11(9(7-16)5-6-15-12)8-1-3-10(14)4-2-8/h1-7H
InChIKeyUVHYBPMNSYISPI-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 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde (CID 119011703) is 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde is O=Cc1ccnc(Cl)c1-c1ccc(F)cc1.
What is the InChIKey of 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde?
The InChIKey is UVHYBPMNSYISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-12-11(9(7-16)5-6-15-12)8-1-3-10(14)4-2-8/h1-7H.
What are the key properties of 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde?
2-chloro-3-(4-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 2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 119011703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).