5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde

C12H6Cl2FNO — CID 133090767

IUPAC5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(F)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H6Cl2FNO/c13-10-3-1-2-8(11(10)14)9-4-7(6-17)5-16-12(9)15/h1-6H
InChIKeyACCZHYMSOGXQNP-UHFFFAOYSA-N
MW270.09 g/mol
LogP4.01
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde

5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde (PubChem CID 133090767) has the molecular formula C12H6Cl2FNO and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
PubChem CID133090767
Molecular FormulaC12H6Cl2FNO
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(F)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H6Cl2FNO/c13-10-3-1-2-8(11(10)14)9-4-7(6-17)5-16-12(9)15/h1-6H
InChIKeyACCZHYMSOGXQNP-UHFFFAOYSA-N
XLogP4.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 54.01
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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Related Compounds

3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
6-(2,3-dichlorophenyl)pyridine-3-carbaldehyde
CID 24730313
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
CID 133091201
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
CID 81448115
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde
CID 130088699
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
6-(2,3-dichlorophenyl)-2-fluoropyridine-3-carbaldehyde
CID 133090737
2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
CID 118841863
6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde
CID 87405121
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134636222

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde?
The IUPAC name of 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde (CID 133090767) is 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde is O=Cc1cnc(F)c(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde?
The InChIKey is ACCZHYMSOGXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO/c13-10-3-1-2-8(11(10)14)9-4-7(6-17)5-16-12(9)15/h1-6H.
What are the key properties of 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde?
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde has a molecular weight of 270.09 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 133090767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).