3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine

C14H19Cl3N2O — CID 102751716

IUPAC3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
SMILESCCC1(CC)CC(Nc2nc(Cl)c(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H19Cl3N2O/c1-3-14(4-2)8-9(5-6-20-14)18-13-11(16)7-10(15)12(17)19-13/h7,9H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyNOKORNLTOMZIFX-UHFFFAOYSA-N
MW337.68 g/mol
LogP5.19
Rot. Bonds4

About 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine

3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine (PubChem CID 102751716) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
PubChem CID102751716
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC Name3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
SMILESCCC1(CC)CC(Nc2nc(Cl)c(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H19Cl3N2O/c1-3-14(4-2)8-9(5-6-20-14)18-13-11(16)7-10(15)12(17)19-13/h7,9H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyNOKORNLTOMZIFX-UHFFFAOYSA-N
XLogP5.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.68
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 83039460
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83036892
3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
CID 83028580
6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83037052
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
CID 102750636
2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
CID 83028148
3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
CID 102751760
6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
CID 103889061
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine (CID 102751716) is 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine is CCC1(CC)CC(Nc2nc(Cl)c(Cl)cc2Cl)CCO1.
What is the InChIKey of 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine?
The InChIKey is NOKORNLTOMZIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl3N2O/c1-3-14(4-2)8-9(5-6-20-14)18-13-11(16)7-10(15)12(17)19-13/h7,9H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine?
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine has a molecular weight of 337.68 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 102751716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).