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

C12H7Cl3N2O — CID 119014537

IUPAC2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1C=O
InChIInChI=1S/C12H7Cl3N2O/c13-8-2-9(14)11(10(15)3-8)6-1-7(5-18)12(16)17-4-6/h1-5H,(H2,16,17)
InChIKeyLUQHWTZXSZUHFV-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.10
Rot. Bonds2

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

2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 119014537) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID119014537
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1C=O
InChIInChI=1S/C12H7Cl3N2O/c13-8-2-9(14)11(10(15)3-8)6-1-7(5-18)12(16)17-4-6/h1-5H,(H2,16,17)
InChIKeyLUQHWTZXSZUHFV-UHFFFAOYSA-N
XLogP4.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637848
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
CID 145269302
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
CID 115028666
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218
2-amino-5-tert-butylpyridine-3-carbaldehyde
CID 90244965
2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
CID 115036600
2-amino-5-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 118996981
2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde
CID 123441309
3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133092347
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 119015935

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde (CID 119014537) is 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde is Nc1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1C=O.
What is the InChIKey of 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is LUQHWTZXSZUHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-8-2-9(14)11(10(15)3-8)6-1-7(5-18)12(16)17-4-6/h1-5H,(H2,16,17).
What are the key properties of 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde has a molecular weight of 301.56 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 119014537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).