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CAS 915107-47-0 (6-chloro-5-methoxypyridin-3-yl)methanol molecular structure lightbox
CAS RN: 915107-47-0

(6-chloro-5-methoxypyridin-3-yl)methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS915107-47-0
  • Purity/Analytical Methods: >99.0%
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915107-47-0 / (6-chloro-5-methoxy-3-pyridinyl)methanol

Standard CAS: 915107-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915107-47-0
Multi CAS
No
Molecular Formula
C7H8CLNO2
Molecular Weight
173.600000
Exact Mass
173.024356
InChI
InChI=1S/C7H8ClNO2/c1-11-6-2-5(4-10)3-9-7(6)8/h2-3,10H,4H2,1H3
InChIKey
RZQRRUODDCZJOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.72
TPSA
42.35

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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