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CAS 1211530-15-2 4-Fluoro-5-methylpicolinic acid molecular structure lightbox
CAS RN: 1211530-15-2

4-Fluoro-5-methylpicolinic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINF889025
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1211530-15-2 / 4-fluoro-5-methylpyridine-2-carboxylic acid

4-FLUORO-5-METHYLPICOLINIC ACID | 4-FLUORO-5-METHYLPYRIDINE-2-CARBOXYLIC ACID | 2-Pyridinecarboxylic acid, 4-fluoro-5-methyl-

Standard CAS: 1211530-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211530-15-2
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
CC1=CN=C(C=C1F)C(=O)O
InChI
InChI=1S/C7H6FNO2/c1-4-3-9-6(7(10)11)2-5(4)8/h2-3H,1H3,(H,10,11)
InChIKey
APEBNSZTVWRXGT-UHFFFAOYSA-N
Synonyms
4-FLUORO-5-METHYLPICOLINIC ACID 4-FLUORO-5-METHYLPYRIDINE-2-CARBOXYLIC ACID 2-Pyridinecarboxylic acid, 4-fluoro-5-methyl- MFCD18257374 4-FLUORO-5-METHYLPICOLINICACID

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
35.89
TPSA
50.19

LogP / Solubility

WLOGP
1.23
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.17
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.79

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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