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

C12H5Cl4NO — CID 119015935

IUPAC2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1Cl
InChIInChI=1S/C12H5Cl4NO/c13-7-3-8(14)11(9(15)4-7)10-2-1-6(5-18)12(16)17-10/h1-5H
InChIKeyQTCWQPBFQKWFQT-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.17
Rot. Bonds2

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

2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 119015935) has the molecular formula C12H5Cl4NO and a molecular weight of 320.99 g/mol. Its IUPAC name is 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID119015935
Molecular FormulaC12H5Cl4NO
Molecular Weight320.99 g/mol
Exact Mass318.91
IUPAC Name2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1Cl
InChIInChI=1S/C12H5Cl4NO/c13-7-3-8(14)11(9(15)4-7)10-2-1-6(5-18)12(16)17-10/h1-5H
InChIKeyQTCWQPBFQKWFQT-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'}

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Related Compounds

2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273
6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636818
2-chloro-6-ethenylpyridine-3-carbaldehyde
CID 74890380
6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637837
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-4-carbaldehyde
CID 133090240
5,7-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449422
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090274
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
CID 133090291
2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637848
2-iodo-6-(2,4,6-trichlorophenyl)pyridine
CID 134636340
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde (CID 119015935) is 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1Cl.
What is the InChIKey of 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is QTCWQPBFQKWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO/c13-7-3-8(14)11(9(15)4-7)10-2-1-6(5-18)12(16)17-10/h1-5H.
What are the key properties of 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
2-chloro-6-(2,4,6-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 2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 119015935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).