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

C12H6Cl3NO — CID 133088126

IUPAC6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H6Cl3NO/c13-9-2-8(3-10(14)4-9)11-1-7(6-17)5-16-12(11)15/h1-6H
InChIKeyLVOGWYBERNUUMS-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.52
Rot. Bonds2

About 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde

6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 133088126) has the molecular formula C12H6Cl3NO and a molecular weight of 286.55 g/mol. Its IUPAC name is 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
PubChem CID133088126
Molecular FormulaC12H6Cl3NO
Molecular Weight286.55 g/mol
Exact Mass284.95
IUPAC Name6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H6Cl3NO/c13-9-2-8(3-10(14)4-9)11-1-7(6-17)5-16-12(11)15/h1-6H
InChIKeyLVOGWYBERNUUMS-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

5,6-dichloropyridine-3-carbaldehyde
CID 11535654
2,5-dichloro-3-(3,5-dichlorophenyl)pyridine
CID 119015599
5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
CID 133088128
6-chloro-5-ethenylpyridine-3-carbaldehyde
CID 89205442
6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde
CID 175646834
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
6,8-dichloroquinoline-3-carbaldehyde
CID 131507049
3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 169447859
3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde
CID 122476961
3-(3,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133090689
5-chloro-6-isocyanopyridine-3-carbaldehyde
CID 58001744

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde (CID 133088126) is 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde is O=Cc1cnc(Cl)c(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is LVOGWYBERNUUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO/c13-9-2-8(3-10(14)4-9)11-1-7(6-17)5-16-12(11)15/h1-6H.
What are the key properties of 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde?
6-chloro-5-(3,5-dichlorophenyl)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 6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 133088126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).