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

C12H6Cl3NO — CID 119012819

IUPAC2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Cl)c1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3NO/c13-8-1-2-10(14)9(5-8)11-7(6-17)3-4-16-12(11)15/h1-6H
InChIKeyPKLWNDJCLJYIMQ-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.52
Rot. Bonds2

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

2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde (PubChem CID 119012819) has the molecular formula C12H6Cl3NO and a molecular weight of 286.55 g/mol. Its IUPAC name is 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
PubChem CID119012819
Molecular FormulaC12H6Cl3NO
Molecular Weight286.55 g/mol
Exact Mass284.95
IUPAC Name2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Cl)c1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3NO/c13-8-1-2-10(14)9(5-8)11-7(6-17)3-4-16-12(11)15/h1-6H
InChIKeyPKLWNDJCLJYIMQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
2-(2,5-dichlorophenyl)benzaldehyde
CID 58037863
2-(2,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133091145
5-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220551
2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde
CID 119011703
3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
CID 169447869
4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220552
3,5-dichloro-2-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 133088319
2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 119013869
6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82519097
3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 134625710
[2-amino-3-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119005469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde (CID 119012819) is 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde is O=Cc1ccnc(Cl)c1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The InChIKey is PKLWNDJCLJYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO/c13-8-1-2-10(14)9(5-8)11-7(6-17)3-4-16-12(11)15/h1-6H.
What are the key properties of 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
2-chloro-3-(2,5-dichlorophenyl)pyridine-4-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 2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 119012819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).