Home Cart 0 Sign in  

[ CAS No. 909712-10-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 909712-10-3
Chemical Structure| 909712-10-3
Structure of 909712-10-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 909712-10-3 ]

Related Doc. of [ 909712-10-3 ]

Alternatived Products of [ 909712-10-3 ]

Product Details of [ 909712-10-3 ]

CAS No. :909712-10-3 MDL No. :MFCD26743706
Formula : C5H3BrN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :MCVCQPYYTSNQSG-UHFFFAOYSA-N
M.W : 202.99 Pubchem ID :23436857
Synonyms :

Calculated chemistry of [ 909712-10-3 ]

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 : 0.0
Molar Refractivity : 40.76
TPSA : 58.71 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) : -6.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.25
Log Po/w (XLOGP3) : 1.4
Log Po/w (WLOGP) : 1.75
Log Po/w (MLOGP) : 1.67
Log Po/w (SILICOS-IT) : -0.05
Consensus Log Po/w : 1.2

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.36
Solubility : 0.889 mg/ml ; 0.00438 mol/l
Class : Soluble
Log S (Ali) : -2.24
Solubility : 1.18 mg/ml ; 0.0058 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.26
Solubility : 1.11 mg/ml ; 0.00546 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 909712-10-3 ]

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:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 909712-10-3 ]

Bromides

Chemical Structure| 39856-50-3

[ 39856-50-3 ]

5-Bromo-2-nitropyridine

Similarity: 0.90

Chemical Structure| 54231-33-3

[ 54231-33-3 ]

3-Bromo-2-nitropyridine

Similarity: 0.82

Chemical Structure| 610261-34-2

[ 610261-34-2 ]

3,5-Dibromo-2-nitropyridine

Similarity: 0.80

Chemical Structure| 114042-02-3

[ 114042-02-3 ]

5-Bromo-3-methyl-2-nitropyridine

Similarity: 0.80

Chemical Structure| 433226-05-2

[ 433226-05-2 ]

5-Bromo-2-nitropyridin-3-amine

Similarity: 0.77

Nitroes

Chemical Structure| 39856-50-3

[ 39856-50-3 ]

5-Bromo-2-nitropyridine

Similarity: 0.90

Chemical Structure| 54231-33-3

[ 54231-33-3 ]

3-Bromo-2-nitropyridine

Similarity: 0.82

Chemical Structure| 610261-34-2

[ 610261-34-2 ]

3,5-Dibromo-2-nitropyridine

Similarity: 0.80

Chemical Structure| 114042-02-3

[ 114042-02-3 ]

5-Bromo-3-methyl-2-nitropyridine

Similarity: 0.80

Chemical Structure| 433226-05-2

[ 433226-05-2 ]

5-Bromo-2-nitropyridin-3-amine

Similarity: 0.77

Related Parent Nucleus of
[ 909712-10-3 ]

Pyridines

Chemical Structure| 39856-50-3

[ 39856-50-3 ]

5-Bromo-2-nitropyridine

Similarity: 0.90

Chemical Structure| 54231-33-3

[ 54231-33-3 ]

3-Bromo-2-nitropyridine

Similarity: 0.82

Chemical Structure| 610261-34-2

[ 610261-34-2 ]

3,5-Dibromo-2-nitropyridine

Similarity: 0.80

Chemical Structure| 114042-02-3

[ 114042-02-3 ]

5-Bromo-3-methyl-2-nitropyridine

Similarity: 0.80

Chemical Structure| 433226-05-2

[ 433226-05-2 ]

5-Bromo-2-nitropyridin-3-amine

Similarity: 0.77