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CAS 101870-78-4 6-Isopropylpyridin-3-ol molecular structure lightbox
CAS RN: 101870-78-4

6-Isopropylpyridin-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS101870-78-4
  • Purity/Analytical Methods: >99.0%
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101870-78-4 / 6-propan-2-ylpyridin-3-ol

6-isopropylpyridin-3-ol | 6-propan-2-ylpyridin-3-ol | 3-Pyridinol, 6-(1-methylethyl)-

Standard CAS: 101870-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101870-78-4
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
SMILES
CC(C)C1=NC=C(C=C1)O
InChI
InChI=1S/C8H11NO/c1-6(2)8-4-3-7(10)5-9-8/h3-6,10H,1-2H3
InChIKey
XJTYVWSIHYOBHW-UHFFFAOYSA-N
Synonyms
6-isopropylpyridin-3-ol 6-propan-2-ylpyridin-3-ol 3-Pyridinol, 6-(1-methylethyl)- MFCD10000595 6-(PROPAN-2-YL)PYRIDIN-3-OL

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.99
TPSA
33.12

LogP / Solubility

WLOGP
1.91
MLOGP
1.67
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.2

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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