Home Cart 0 Sign in  
X

[ CAS No. 15366-65-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 15366-65-1
Chemical Structure| 15366-65-1
Chemical Structure| 15366-65-1
Structure of 15366-65-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 15366-65-1 ]

Related Doc. of [ 15366-65-1 ]

Alternatived Products of [ 15366-65-1 ]

Product Details of [ 15366-65-1 ]

CAS No. :15366-65-1 MDL No. :MFCD07437961
Formula : C6H4INO2 Boiling Point : -
Linear Structure Formula :- InChI Key :UPFHREFMESXXLW-UHFFFAOYSA-N
M.W : 249.01 Pubchem ID :151950
Synonyms :

Calculated chemistry of [ 15366-65-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.91
TPSA : 50.19 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.12
Log Po/w (XLOGP3) : 1.03
Log Po/w (WLOGP) : 1.38
Log Po/w (MLOGP) : -0.18
Log Po/w (SILICOS-IT) : 1.71
Consensus Log Po/w : 1.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.41
Solubility : 0.967 mg/ml ; 0.00388 mol/l
Class : Soluble
Log S (Ali) : -1.67
Solubility : 5.27 mg/ml ; 0.0212 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.35
Solubility : 1.1 mg/ml ; 0.00443 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.66

Safety of [ 15366-65-1 ]

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 [ 15366-65-1 ]

* 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 [ 15366-65-1 ]
  • Downstream synthetic route of [ 15366-65-1 ]

[ 15366-65-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 20826-04-4 ]
  • [ 15366-65-1 ]
Reference: [1] European Journal of Organic Chemistry, 1999, # 2, p. 373 - 378
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 15366-65-1 ]

Carboxylic Acids

Chemical Structure| 54400-30-5

[ 54400-30-5 ]

2-Amino-5-iodonicotinic acid

Similarity: 0.92

Chemical Structure| 59782-87-5

[ 59782-87-5 ]

6-Chloro-5-iodonicotinic acid

Similarity: 0.83

Chemical Structure| 59782-86-4

[ 59782-86-4 ]

2-Chloro-5-iodonicotinic acid

Similarity: 0.81

Chemical Structure| 94015-05-1

[ 94015-05-1 ]

4-Methylnicotinic acid hydrochloride

Similarity: 0.77

Chemical Structure| 1970-81-6

[ 1970-81-6 ]

[3,3'-Bipyridine]-5-carboxylic acid

Similarity: 0.77

Related Parent Nucleus of
[ 15366-65-1 ]

Pyridines

Chemical Structure| 54400-30-5

[ 54400-30-5 ]

2-Amino-5-iodonicotinic acid

Similarity: 0.92

Chemical Structure| 1227048-78-3

[ 1227048-78-3 ]

Methyl 2-amino-5-iodonicotinate

Similarity: 0.87

Chemical Structure| 848093-36-7

[ 848093-36-7 ]

Ethyl 2-amino-5-iodonicotinate

Similarity: 0.84

Chemical Structure| 59782-87-5

[ 59782-87-5 ]

6-Chloro-5-iodonicotinic acid

Similarity: 0.83

Chemical Structure| 59782-86-4

[ 59782-86-4 ]

2-Chloro-5-iodonicotinic acid

Similarity: 0.81