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CAS 1260845-81-5 (R)-5-fluoro-2-methoxy-3-(pyrrolidin-2-yl)pyridine dihydrochloride molecular structure lightbox
CAS RN: 1260845-81-5

(R)-5-fluoro-2-methoxy-3-(pyrrolidin-2-yl)pyridine dihydrochloride

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Batchno.20251118 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1260845-81-5
  • Purity/Analytical Methods: >99.0%
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1260845-81-5 / 5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride

Standard CAS: 1260845-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260845-81-5
Multi CAS
No
Molecular Formula
C10H15Cl2FN2O
Molecular Weight
269.140000
Exact Mass
268.054547
SMILES
COC1=C(C=C(C=N1)F)[C@H]2CCCN2.Cl.Cl
InChI
InChI=1S/C10H13FN2O.2ClH/c1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;;/h5-6,9,12H,2-4H2,1H3;2*1H/t9-;;/m1../s1
InChIKey
MQHRAALDOGEVBC-KLQYNRQASA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.22
TPSA
34.15

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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