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

C12H6Cl3NO — CID 133088128

IUPAC5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Cl)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl3NO/c13-8-1-7(2-9(14)3-8)11-4-10(15)5-16-12(11)6-17/h1-6H
InChIKeyYZHANFOIOARKIL-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.52
Rot. Bonds2

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

5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde (PubChem CID 133088128) has the molecular formula C12H6Cl3NO and a molecular weight of 286.55 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
PubChem CID133088128
Molecular FormulaC12H6Cl3NO
Molecular Weight286.55 g/mol
Exact Mass284.95
IUPAC Name5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Cl)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl3NO/c13-8-1-7(2-9(14)3-8)11-4-10(15)5-16-12(11)6-17/h1-6H
InChIKeyYZHANFOIOARKIL-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

5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093625
2,5-dichloro-3-(3,5-dichlorophenyl)pyridine
CID 119015599
5-chloro-3-iodopyridine-2-carbaldehyde
CID 131589570
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
CID 133088126
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
3,5-dipyridin-4-ylpyridine-2-carbaldehyde
CID 131869593
3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 169447859
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
3-(3,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133090689
5-chloro-2-(3,5-dichlorophenyl)-3-fluoropyridine
CID 133090435
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde (CID 133088128) is 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde is O=Cc1ncc(Cl)cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde?
The InChIKey is YZHANFOIOARKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO/c13-8-1-7(2-9(14)3-8)11-4-10(15)5-16-12(11)6-17/h1-6H.
What are the key properties of 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde?
5-chloro-3-(3,5-dichlorophenyl)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 5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 133088128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).