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

C12H5Cl4NO — CID 134637324

IUPAC5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl4NO/c13-7-2-8(11(16)9(14)3-7)12-10(15)1-6(5-18)4-17-12/h1-5H
InChIKeyIEMZLHZKNUCUON-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.17
Rot. Bonds2

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

5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 134637324) has the molecular formula C12H5Cl4NO and a molecular weight of 320.99 g/mol. Its IUPAC name is 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID134637324
Molecular FormulaC12H5Cl4NO
Molecular Weight320.99 g/mol
Exact Mass318.91
IUPAC Name5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl4NO/c13-7-2-8(11(16)9(14)3-7)12-10(15)1-6(5-18)4-17-12/h1-5H
InChIKeyIEMZLHZKNUCUON-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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Related Compounds

5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530
5,6-dichloropyridine-3-carbaldehyde
CID 11535654
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
6,8-dichloroquinoline-3-carbaldehyde
CID 131507049
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637233
2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637455
6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
CID 133088126
5-chloro-6-isocyanopyridine-3-carbaldehyde
CID 58001744
5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde (CID 134637324) is 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde is O=Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is IEMZLHZKNUCUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO/c13-7-2-8(11(16)9(14)3-7)12-10(15)1-6(5-18)4-17-12/h1-5H.
What are the key properties of 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-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 5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134637324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).