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

C12H5Cl3FNO — CID 133090241

IUPAC2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(F)nc(-c2cc(Cl)c(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H5Cl3FNO/c13-8-3-7(4-9(14)12(8)15)10-1-6(5-18)2-11(16)17-10/h1-5H
InChIKeyLGAAZYGQNRYFPI-UHFFFAOYSA-N
MW304.54 g/mol
LogP4.66
Rot. Bonds2

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

2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde (PubChem CID 133090241) 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-4-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde
PubChem CID133090241
Molecular FormulaC12H5Cl3FNO
Molecular Weight304.54 g/mol
Exact Mass302.94
IUPAC Name2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(F)nc(-c2cc(Cl)c(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H5Cl3FNO/c13-8-3-7(4-9(14)12(8)15)10-1-6(5-18)2-11(16)17-10/h1-5H
InChIKeyLGAAZYGQNRYFPI-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-4-carbaldehyde
CID 133090240
2-fluoro-6-(2,3,6-trichlorophenyl)pyridine-4-carbaldehyde
CID 134637526
2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde
CID 133088695
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090274
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
2-amino-6-fluoropyridine-4-carbaldehyde
CID 131189118
6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636048
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819430
2-chloro-6-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 91871877
2-[2,6-bis(3,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637823
2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
CID 118847710

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde (CID 133090241) is 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde is O=Cc1cc(F)nc(-c2cc(Cl)c(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
The InChIKey is LGAAZYGQNRYFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO/c13-8-3-7(4-9(14)12(8)15)10-1-6(5-18)2-11(16)17-10/h1-5H.
What are the key properties of 2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-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-4-carbaldehyde is sourced from PubChem (CID 133090241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).