3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde

C12H5Cl4NO — CID 133088319

IUPAC3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cnc(-c2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO/c13-6-1-2-9(14)7(3-6)12-11(16)8(5-18)10(15)4-17-12/h1-5H
InChIKeyTWWNGKHDCGXUEX-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.17
Rot. Bonds2

About 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde

3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde (PubChem CID 133088319) has the molecular formula C12H5Cl4NO and a molecular weight of 320.99 g/mol. Its IUPAC name is 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
PubChem CID133088319
Molecular FormulaC12H5Cl4NO
Molecular Weight320.99 g/mol
Exact Mass318.91
IUPAC Name3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cnc(-c2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO/c13-6-1-2-9(14)7(3-6)12-11(16)8(5-18)10(15)4-17-12/h1-5H
InChIKeyTWWNGKHDCGXUEX-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'}

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Related Compounds

5,6-bis(2,5-dichlorophenyl)pyridin-3-amine
CID 133087009
3,5-dichloro-2-fluoropyridine-4-carbaldehyde
CID 146155135
2-(2,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133091145
2-(2,5-dichlorophenyl)-3-fluoro-5-iodopyridine
CID 118813724
2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine
CID 118825049
2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 119012819
5-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220551
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087222
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
CID 89391837
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde (CID 133088319) is 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde is O=Cc1c(Cl)cnc(-c2cc(Cl)ccc2Cl)c1Cl.
What is the InChIKey of 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The InChIKey is TWWNGKHDCGXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO/c13-6-1-2-9(14)7(3-6)12-11(16)8(5-18)10(15)4-17-12/h1-5H.
What are the key properties of 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
3,5-dichloro-2-(2,5-dichlorophenyl)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 3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 133088319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).