[email protected]
CAS 1266119-15-6 (4-bromo-6-chloropyridin-2-yl)methanol molecular structure lightbox
CAS RN: 1266119-15-6

(4-bromo-6-chloropyridin-2-yl)methanol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1266119-15-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1266119-15-6 / (4-bromo-6-chloro-2-pyridinyl)methanol

Standard CAS: 1266119-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1266119-15-6
Multi CAS
No
Molecular Formula
C6H5BrClNO
Molecular Weight
222.470000
Exact Mass
220.924300
SMILES
C1=C(C=C(N=C1CO)Cl)Br
InChI
InChI=1S/C6H5BrClNO/c7-4-1-5(3-10)9-6(8)2-4/h1-2,10H,3H2
InChIKey
RQPGWQOUQRIDKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.87
TPSA
33.12

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us