4-amino-3,5,6-trichloropyridine-2-carbaldehyde

C6H3Cl3N2O — CID 86070350

IUPAC4-amino-3,5,6-trichloropyridine-2-carbaldehyde
SMILESNc1c(Cl)c(Cl)nc(C=O)c1Cl
InChIInChI=1S/C6H3Cl3N2O/c7-3-2(1-12)11-6(9)4(8)5(3)10/h1H,(H2,10,11)
InChIKeyHAHJTMVXYKLZNN-UHFFFAOYSA-N
MW225.46 g/mol
LogP2.44
Rot. Bonds1

About 4-amino-3,5,6-trichloropyridine-2-carbaldehyde

4-amino-3,5,6-trichloropyridine-2-carbaldehyde (PubChem CID 86070350) has the molecular formula C6H3Cl3N2O and a molecular weight of 225.46 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-3,5,6-trichloropyridine-2-carbaldehyde
PubChem CID86070350
Molecular FormulaC6H3Cl3N2O
Molecular Weight225.46 g/mol
Exact Mass223.93
IUPAC Name4-amino-3,5,6-trichloropyridine-2-carbaldehyde
SMILESNc1c(Cl)c(Cl)nc(C=O)c1Cl
InChIInChI=1S/C6H3Cl3N2O/c7-3-2(1-12)11-6(9)4(8)5(3)10/h1H,(H2,10,11)
InChIKeyHAHJTMVXYKLZNN-UHFFFAOYSA-N
XLogP2.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3,5-diamino-6-chloropyrazine-2-carbaldehyde
CID 121478493
5,6-dichloropyrimidine-2,4-dicarbaldehyde
CID 175069673
(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol
CID 169451317
2,3,5-trichloro-6-hydrazinylpyridin-4-amine
CID 2388444
2-amino-5-chloro-1,3-thiazole-4-carbaldehyde
CID 2763228
3-amino-6-chloro-5-methylsulfanyloxypyrazine-2-carbaldehyde
CID 57154205
3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde
CID 146629095
6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde
CID 88934599
2-amino-4-chloro-1,3-oxazole-5-carbaldehyde
CID 83815274
propyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 3090753
6-chloro-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 155970404
3,5,6-trichloro-2-N-propylpyridine-2,4-diamine
CID 102383001

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
The IUPAC name of 4-amino-3,5,6-trichloropyridine-2-carbaldehyde (CID 86070350) is 4-amino-3,5,6-trichloropyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-3,5,6-trichloropyridine-2-carbaldehyde is Nc1c(Cl)c(Cl)nc(C=O)c1Cl.
What is the InChIKey of 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
The InChIKey is HAHJTMVXYKLZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3N2O/c7-3-2(1-12)11-6(9)4(8)5(3)10/h1H,(H2,10,11).
What are the key properties of 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
4-amino-3,5,6-trichloropyridine-2-carbaldehyde has a molecular weight of 225.46 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloropyridine-2-carbaldehyde is sourced from PubChem (CID 86070350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).