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Chemistry
Heterocyclic Building Blocks
Pyridines
2,3,6-Trichloropyridin-4-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Amines Chlorides

[ CAS No. 874491-78-8 ]

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 874491-78-8
Chemical Structure| 874491-78-8
Chemical Structure| 874491-78-8
Structure of 874491-78-8 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 874491-78-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 874491-78-8 ]

SDS
Alternatived Products of [ 874491-78-8 ]

Product Details of [ 874491-78-8 ]

CAS No. :874491-78-8 MDL No. :MFCD20693863
Formula : C5H3Cl3N2 Boiling Point : 339.7±37.0°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :197.45 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 874491-78-8 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.67
TPSA : 38.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.64
Log Po/w (XLOGP3) : 2.72
Log Po/w (WLOGP) : 2.63
Log Po/w (MLOGP) : 1.62
Log Po/w (SILICOS-IT) : 2.64
Consensus Log Po/w : 2.25

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.22
Solubility : 0.118 mg/ml ; 0.0006 mol/l
Class : Soluble
Log S (Ali) : -3.19
Solubility : 0.127 mg/ml ; 0.000644 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.52
Solubility : 0.0599 mg/ml ; 0.000303 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 874491-78-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 874491-78-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 874491-78-8 ]
  • Downstream synthetic route of [ 874491-78-8 ]

[ 874491-78-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 874491-78-8 ]
  • [ 14121-36-9 ]
Reference： [1] Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 673,690

Tags: 874491-78-8 synthesis path| 874491-78-8 SDS| 874491-78-8 COA| 874491-78-8 purity| 874491-78-8 application| 874491-78-8 NMR| 874491-78-8 COA| 874491-78-8 structure

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