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CAS 1211584-22-3 5-fluoro-4-Methylpyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1211584-22-3

5-fluoro-4-Methylpyridine-3-carboxylic acid

  • Product code: SSC-022828
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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 1211584-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1211584-22-3 / 5-fluoro-4-methylpyridine-3-carboxylic acid

5-fluoro-4-Methylpyridine-3-carboxylic acid | DTXSID801261960 | 5-Fluoro-4-methyl-3-pyridinecarboxylic acid

Standard CAS: 1211584-22-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211584-22-3
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
CC1=C(C=NC=C1C(=O)O)F
InChI
InChI=1S/C7H6FNO2/c1-4-5(7(10)11)2-9-3-6(4)8/h2-3H,1H3,(H,10,11)
InChIKey
GRIVFOODODSKMR-UHFFFAOYSA-N
Synonyms
5-fluoro-4-Methylpyridine-3-carboxylic acid DTXSID801261960 5-Fluoro-4-methyl-3-pyridinecarboxylic acid RefChem:535915 DTXCID501692651

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
0.8
Consensus LogP
1.03
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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