6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde

C12H6Cl3NO — CID 134636818

IUPAC6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C12H6Cl3NO/c13-7-4-9(14)12(10(15)5-7)11-3-1-2-8(6-17)16-11/h1-6H
InChIKeyWHAIKPHDFAKMFO-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.52
Rot. Bonds2

About 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde

6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde (PubChem CID 134636818) has the molecular formula C12H6Cl3NO and a molecular weight of 286.55 g/mol. Its IUPAC name is 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
PubChem CID134636818
Molecular FormulaC12H6Cl3NO
Molecular Weight286.55 g/mol
Exact Mass284.95
IUPAC Name6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C12H6Cl3NO/c13-7-4-9(14)12(10(15)5-7)11-3-1-2-8(6-17)16-11/h1-6H
InChIKeyWHAIKPHDFAKMFO-UHFFFAOYSA-N
XLogP4.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
6-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093639
6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637837
2-iodo-6-(2,4,6-trichlorophenyl)pyridine
CID 134636340
2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 119015935
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273
6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
CID 134636792
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-4-carbaldehyde
CID 133090240
6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde
CID 86672842
6-(1H-pyrazol-4-yl)pyridine-2-carbaldehyde
CID 165129883
7-chloro-6-fluoroquinoline-2-carbaldehyde
CID 23359173

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde (CID 134636818) is 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde is O=Cc1cccc(-c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde?
The InChIKey is WHAIKPHDFAKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO/c13-7-4-9(14)12(10(15)5-7)11-3-1-2-8(6-17)16-11/h1-6H.
What are the key properties of 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde?
6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde has a molecular weight of 286.55 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 134636818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).