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CAS 1211597-14-6 4,6-DibroMo-2-fluoropyridin-3-ol molecular structure lightbox
CAS RN: 1211597-14-6

4,6-DibroMo-2-fluoropyridin-3-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1211597-14-6
  • Purity/Analytical Methods: >99.0%
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1211597-14-6 / 4,6-dibromo-2-fluoropyridin-3-ol

4,6-Dibromo-2-fluoropyridin-3-ol | MFCD14705055 | DTXSID601301829

Standard CAS: 1211597-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211597-14-6
Multi CAS
No
Molecular Formula
C5H2Br2FNO
Molecular Weight
270.880000
Exact Mass
270.846670
SMILES
C1=C(C(=C(N=C1Br)F)O)Br
InChI
InChI=1S/C5H2Br2FNO/c6-2-1-3(7)9-5(8)4(2)10/h1,10H
InChIKey
MFTJSJBLHPHPAI-UHFFFAOYSA-N
Synonyms
4,6-Dibromo-2-fluoropyridin-3-ol MFCD14705055 DTXSID601301829 4,6-Dibromo-2-fluoro-3-pyridinol 4,6-dibromo-2-fluoro-pyridin-3-ol

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.26
TPSA
33.12

LogP / Solubility

WLOGP
2.45
MLOGP
2.17
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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