Home Cart 0 Sign in  

[ CAS No. 2402-77-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2402-77-9
Chemical Structure| 2402-77-9
Structure of 2402-77-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 2402-77-9 ]

Related Doc. of [ 2402-77-9 ]

Alternatived Products of [ 2402-77-9 ]
Product Citations

Product Details of [ 2402-77-9 ]

CAS No. :2402-77-9 MDL No. :MFCD00006229
Formula : C5H3Cl2N Boiling Point : No data available
Linear Structure Formula :- InChI Key :MAKFMOSBBNKPMS-UHFFFAOYSA-N
M.W : 147.99 Pubchem ID :16988
Synonyms :

Calculated chemistry of [ 2402-77-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 34.26
TPSA : 12.89 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) : -5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.77
Log Po/w (XLOGP3) : 2.11
Log Po/w (WLOGP) : 2.39
Log Po/w (MLOGP) : 1.68
Log Po/w (SILICOS-IT) : 2.73
Consensus Log Po/w : 2.14

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.64
Solubility : 0.338 mg/ml ; 0.00228 mol/l
Class : Soluble
Log S (Ali) : -2.01
Solubility : 1.44 mg/ml ; 0.00974 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.24
Solubility : 0.0859 mg/ml ; 0.000581 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 2402-77-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Similar Product of
[ 2402-77-9 ]

Chemical Structure| 1644451-39-7

A1448866[ 1644451-39-7 ]

2,3-Dichloropyridine-2-13C

Reason: Stable Isotope

Related Functional Groups of
[ 2402-77-9 ]

Chlorides

Chemical Structure| 16063-70-0

[ 16063-70-0 ]

2,3,5-Trichloropyridine

Similarity: 0.92

Chemical Structure| 55934-02-6

[ 55934-02-6 ]

2,3,4-Trichloropyridine

Similarity: 0.90

Chemical Structure| 59782-90-0

[ 59782-90-0 ]

2,3-Dichloro-5-methylpyridine

Similarity: 0.88

Chemical Structure| 191419-07-5

[ 191419-07-5 ]

2,3-Dichloro-4-methylpyridine

Similarity: 0.88

Chemical Structure| 54957-86-7

[ 54957-86-7 ]

2,3-Dichloro-6-methylpyridine

Similarity: 0.86

Related Parent Nucleus of
[ 2402-77-9 ]

Pyridines

Chemical Structure| 16063-70-0

[ 16063-70-0 ]

2,3,5-Trichloropyridine

Similarity: 0.92

Chemical Structure| 55934-02-6

[ 55934-02-6 ]

2,3,4-Trichloropyridine

Similarity: 0.90

Chemical Structure| 59782-90-0

[ 59782-90-0 ]

2,3-Dichloro-5-methylpyridine

Similarity: 0.88

Chemical Structure| 191419-07-5

[ 191419-07-5 ]

2,3-Dichloro-4-methylpyridine

Similarity: 0.88

Chemical Structure| 54957-86-7

[ 54957-86-7 ]

2,3-Dichloro-6-methylpyridine

Similarity: 0.86

; ;