2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde

C12H5Cl3FNO — CID 133090274

IUPAC2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)nc1F
InChIInChI=1S/C12H5Cl3FNO/c13-8-3-7(4-9(14)11(8)15)10-2-1-6(5-18)12(16)17-10/h1-5H
InChIKeyQLAZSOZXKOUQNL-UHFFFAOYSA-N
MW304.54 g/mol
LogP4.66
Rot. Bonds2

About 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde

2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 133090274) has the molecular formula C12H5Cl3FNO and a molecular weight of 304.54 g/mol. Its IUPAC name is 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID133090274
Molecular FormulaC12H5Cl3FNO
Molecular Weight304.54 g/mol
Exact Mass302.94
IUPAC Name2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)nc1F
InChIInChI=1S/C12H5Cl3FNO/c13-8-3-7(4-9(14)11(8)15)10-2-1-6(5-18)12(16)17-10/h1-5H
InChIKeyQLAZSOZXKOUQNL-UHFFFAOYSA-N
XLogP4.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 54.66
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273
6-(2,3-dichlorophenyl)-2-fluoropyridine-3-carbaldehyde
CID 133090737
2-fluoro-6-pyridin-4-ylpyridine-3-carbaldehyde
CID 131869660
2-fluoro-6-pyridin-3-ylpyridine-3-carbaldehyde
CID 131869800
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819430
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 133090241
2-chloro-4-quinolin-2-ylbenzaldehyde
CID 116645016
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118824997
5-fluoro-2-(3,4,5-trichlorophenyl)pyridine
CID 133090365
methyl 3-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636658
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
CID 106763198
2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 119015935

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde (CID 133090274) is 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)nc1F.
What is the InChIKey of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is QLAZSOZXKOUQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO/c13-8-3-7(4-9(14)11(8)15)10-2-1-6(5-18)12(16)17-10/h1-5H.
What are the key properties of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde has a molecular weight of 304.54 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 133090274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).