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

C12H5Cl4NO — CID 134636048

IUPAC6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)n1
InChIInChI=1S/C12H5Cl4NO/c13-9-3-6(4-10(14)11(9)15)8-2-1-7(5-18)17-12(8)16/h1-5H
InChIKeyRVXQSMQYHAUPTL-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.17
Rot. Bonds2

About 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde

6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde (PubChem CID 134636048) has the molecular formula C12H5Cl4NO and a molecular weight of 320.99 g/mol. Its IUPAC name is 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde
PubChem CID134636048
Molecular FormulaC12H5Cl4NO
Molecular Weight320.99 g/mol
Exact Mass318.91
IUPAC Name6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)n1
InChIInChI=1S/C12H5Cl4NO/c13-9-3-6(4-10(14)11(9)15)8-2-1-7(5-18)17-12(8)16/h1-5H
InChIKeyRVXQSMQYHAUPTL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637837
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047
6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde
CID 133093663
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 133090241
7-chloro-6-fluoroquinoline-2-carbaldehyde
CID 23359173
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090274
6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636818
5,8-dichloroquinoline-2-carbaldehyde
CID 82242447
5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde
CID 167311958
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819430

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde (CID 134636048) is 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde is O=Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde?
The InChIKey is RVXQSMQYHAUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO/c13-9-3-6(4-10(14)11(9)15)8-2-1-7(5-18)17-12(8)16/h1-5H.
What are the key properties of 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde?
6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-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 6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 134636048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).