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CAS 1211583-88-8 2-Fluoro-6-methyl-3-pyridinecarboxylic acid molecular structure lightbox
CAS RN: 1211583-88-8

2-Fluoro-6-methyl-3-pyridinecarboxylic acid

  • Product code: SSC-022821
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211583-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1211583-88-8 / 2-fluoro-6-methylpyridine-3-carboxylic acid

2-Fluoro-6-methylnicotinic acid | 2-Fluoro-6-methyl-3-pyridinecarboxylic acid | MFCD16611276

Standard CAS: 1211583-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211583-88-8
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
CC1=NC(=C(C=C1)C(=O)O)F
InChI
InChI=1S/C7H6FNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11)
InChIKey
OMHKKMYNZNZVNG-UHFFFAOYSA-N
Synonyms
2-Fluoro-6-methylnicotinic acid 2-Fluoro-6-methyl-3-pyridinecarboxylic acid MFCD16611276 2-fluoro-6-methylpyridine-3-carboxylic acid 2-Fluoro-6-methyl-pyridine-3-carboxylicacid

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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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