CAS RN: 36625-63-5
6-methyl-5-nitropyridin-3-ol
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS36625-63-5
- Purity/Analytical Methods: >99.0%
36625-63-5 / 6-methyl-5-nitropyridin-3-ol
Basic Information
CAS
36625-63-5
Multi CAS
No
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
InChI
InChI=1S/C6H6N2O3/c1-4-6(8(10)11)2-5(9)3-7-4/h2-3,9H,1H3
InChIKey
HKHLUYLTPQBCPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.29
TPSA
76.26
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.95
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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