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

C12H5Cl4NO — CID 134625710

IUPAC3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cc(Cl)c(Cl)cc2Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO/c13-8-4-10(15)9(14)3-7(8)12-11(16)6(5-18)1-2-17-12/h1-5H
InChIKeyRIOWVLKBSYXLMR-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.17
Rot. Bonds2

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

3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde (PubChem CID 134625710) has the molecular formula C12H5Cl4NO and a molecular weight of 320.99 g/mol. Its IUPAC name is 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
PubChem CID134625710
Molecular FormulaC12H5Cl4NO
Molecular Weight320.99 g/mol
Exact Mass318.91
IUPAC Name3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cc(Cl)c(Cl)cc2Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO/c13-8-4-10(15)9(14)3-7(8)12-11(16)6(5-18)1-2-17-12/h1-5H
InChIKeyRIOWVLKBSYXLMR-UHFFFAOYSA-N
XLogP5.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.99
LogP ≤ 55.17
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'}

Analyze 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134625713
4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134627378
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118824997
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133086569
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 119012819
2-(2,3,6-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118819242
2-oxo-3-(2,4,5-trichlorophenyl)-1H-pyridine-4-carbaldehyde
CID 133091384
3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde
CID 177366768
3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 133088319
2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118990546
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118802444

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde (CID 134625710) is 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde is O=Cc1ccnc(-c2cc(Cl)c(Cl)cc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
The InChIKey is RIOWVLKBSYXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO/c13-8-4-10(15)9(14)3-7(8)12-11(16)6(5-18)1-2-17-12/h1-5H.
What are the key properties of 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde?
3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde has a molecular weight of 320.99 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 134625710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).