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CAS 1211582-49-8 4-Chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1211582-49-8

4-Chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1211582-49-8
  • Purity/Analytical Methods: >99.0%
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1211582-49-8 / 4-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine

4-Chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine | MFCD16249871 | SCHEMBL23883560

Standard CAS: 1211582-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211582-49-8
Multi CAS
No
Molecular Formula
C7H4ClFN2
Molecular Weight
170.570000
Exact Mass
170.004704
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)F
InChI
InChI=1S/C7H4ClFN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
InChIKey
FWZLZMBIFJYSAU-UHFFFAOYSA-N
Synonyms
4-Chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine MFCD16249871 SCHEMBL23883560 DTXSID80701220 AKOS016003355

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.06
TPSA
28.68

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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