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CAS 100304-88-9 2-Acetamido-5-fluoropyridine molecular structure lightbox
CAS RN: 100304-88-9

2-Acetamido-5-fluoropyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260304 100mg / 250mg / 1g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: starshine_CAS100304-88-9
  • Purity/Analytical Methods: >99.0%
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100304-88-9 / N-(5-fluoro-2-pyridinyl)acetamide

2-Acetamido-5-fluoropyridine | N-(5-fluoropyridin-2-yl)acetamide | MFCD05662406

Standard CAS: 100304-88-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
100304-88-9
Multi CAS
Yes
Molecular Formula
C7H7FN2O
Molecular Weight
154.140000
Exact Mass
154.054241
SMILES
CC(=O)NC1=NC=C(C=C1)F
InChI
InChI=1S/C7H7FN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)
InChIKey
UGAKRZKIWDTOBX-UHFFFAOYSA-N
Synonyms
2-Acetamido-5-fluoropyridine N-(5-fluoropyridin-2-yl)acetamide MFCD05662406 Acetamide, N-(5-fluoro-2-pyridinyl)- N-(5-fluoro-2-pyridyl)acetamide

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.5
TPSA
41.99

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
0.5
Consensus LogP
0.9
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.82

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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