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

C12H5Cl4NO — CID 134637334

IUPAC3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2cc(Cl)cc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C12H5Cl4NO/c13-7-2-8(12(16)10(15)3-7)6-1-9(14)11(5-18)17-4-6/h1-5H
InChIKeyQGBKROUCZBPKPC-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.17
Rot. Bonds2

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

3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde (PubChem CID 134637334) has the molecular formula C12H5Cl4NO and a molecular weight of 320.99 g/mol. Its IUPAC name is 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
PubChem CID134637334
Molecular FormulaC12H5Cl4NO
Molecular Weight320.99 g/mol
Exact Mass318.91
IUPAC Name3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2cc(Cl)cc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C12H5Cl4NO/c13-7-2-8(12(16)10(15)3-7)6-1-9(14)11(5-18)17-4-6/h1-5H
InChIKeyQGBKROUCZBPKPC-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde (CID 134637334) is 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde is O=Cc1ncc(-c2cc(Cl)cc(Cl)c2Cl)cc1Cl.
What is the InChIKey of 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde?
The InChIKey is QGBKROUCZBPKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO/c13-7-2-8(12(16)10(15)3-7)6-1-9(14)11(5-18)17-4-6/h1-5H.
What are the key properties of 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde?
3-chloro-5-(2,3,5-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 3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 134637334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).