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CAS 117449-75-9 5-Chloro-2-hydroxy-6-methylpyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 117449-75-9

5-Chloro-2-hydroxy-6-methylpyridine-3-carboxylic acid

  • Product code: SSC-017324
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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: ＞97%
  • 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 117449-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

117449-75-9 / 5-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid

5-Chloro-2-hydroxy-6-methylnicotinic acid | 5-CHLORO-2-HYDROXY-6-METHYLPYRIDINE-3-CARBOXYLIC ACID | 5-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid

Standard CAS: 117449-75-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117449-75-9
Multi CAS
Yes
Molecular Formula
C7H6ClNO3
Molecular Weight
187.580000
Exact Mass
187.003621
SMILES
CC1=C(C=C(C(=O)N1)C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO3/c1-3-5(8)2-4(7(11)12)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12)
InChIKey
HHWSFTFWHAQORS-UHFFFAOYSA-N
Synonyms
5-Chloro-2-hydroxy-6-methylnicotinic acid 5-CHLORO-2-HYDROXY-6-METHYLPYRIDINE-3-CARBOXYLIC ACID 5-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid MFCD11044289 5-chloro-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.77
TPSA
70.16

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.2
Consensus LogP
1.05
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.13

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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