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CAS 1251039-74-3 5-fluoro-N-isopropylpyridin-2-aMine molecular structure lightbox
CAS RN: 1251039-74-3

5-fluoro-N-isopropylpyridin-2-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1251039-74-3
  • Purity/Analytical Methods: >99.0%
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1251039-74-3 / 5-fluoro-N-propan-2-ylpyridin-2-amine

Standard CAS: 1251039-74-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251039-74-3
Multi CAS
No
Molecular Formula
C8H11FN2
Molecular Weight
154.180000
Exact Mass
154.090627
SMILES
CC(C)NC1=NC=C(C=C1)F
InChI
InChI=1S/C8H11FN2/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3,(H,10,11)
InChIKey
FCUGCNFRPLKKJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.95
TPSA
24.92

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.1
Consensus LogP
1.98
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.21

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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