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

C12H6Cl3NO — CID 134627378

IUPAC4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3NO/c13-10-4-12(15)11(14)3-9(10)8-1-2-16-5-7(8)6-17/h1-6H
InChIKeyZKALLFCYOCSZLK-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.52
Rot. Bonds2

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

4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 134627378) has the molecular formula C12H6Cl3NO and a molecular weight of 286.55 g/mol. Its IUPAC name is 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID134627378
Molecular FormulaC12H6Cl3NO
Molecular Weight286.55 g/mol
Exact Mass284.95
IUPAC Name4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3NO/c13-10-4-12(15)11(14)3-9(10)8-1-2-16-5-7(8)6-17/h1-6H
InChIKeyZKALLFCYOCSZLK-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde
CID 118812839
4-(4-methylphenyl)pyridine-3-carbaldehyde
CID 10878098
4-(2-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
CID 121367744
3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 134625710
3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 169447859
4-(furan-2-yl)pyridine-3-carbaldehyde
CID 96630721
3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
CID 169447869
4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 82382595
3-(3-formyl-4-pyridinyl)benzonitrile
CID 59205208
6-chloroisoquinoline-8-carbaldehyde
CID 164912789
2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde
CID 121367745
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
CID 13115153

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde (CID 134627378) is 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde is O=Cc1cnccc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is ZKALLFCYOCSZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO/c13-10-4-12(15)11(14)3-9(10)8-1-2-16-5-7(8)6-17/h1-6H.
What are the key properties of 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde?
4-(2,4,5-trichlorophenyl)pyridine-3-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 4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134627378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).