CAS RN: 1210419-19-4
6-(2,6-difluorophenyl)-5-fluoropicolinic acid
- Product code: SSC-022399
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1210419-19-4 / 6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
6-(2,6-Difluorophenyl)-5-fluoropicolinic acid | 6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid | MFCD20274495
Basic Information
CAS
1210419-19-4
Multi CAS
No
Molecular Formula
C12H6F3NO2
Molecular Weight
253.180000
Exact Mass
253.035063
SMILES
C1=CC(=C(C(=C1)F)C2=C(C=CC(=N2)C(=O)O)F)F
InChI
InChI=1S/C12H6F3NO2/c13-6-2-1-3-7(14)10(6)11-8(15)4-5-9(16-11)12(17)18/h1-5H,(H,17,18)
InChIKey
CCLXIKVEJUZXQO-UHFFFAOYSA-N
Synonyms
6-(2,6-Difluorophenyl)-5-fluoropicolinic acid
6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
MFCD20274495
C12H6F3NO2
6-(2,6-DIFLUORO-PHENYL)-5-FLUORO-PYRIDINE-2-CARBOXYLIC ACID
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.51
TPSA
50.19
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Methyl 6-bromo-5-fluoropyridine-2-carboxylate
- CAS RN: 1210419-26-3
- Product Code: SSC-022400
-
3′,5′-Bis-O-[(1,1-diMethylethyl)diMethylsilyl]-α-[[(1,1-diMethylethyl)diMethylsilyl]oxy]thyMidine
- CAS RN: 1210427-80-7
- Product Code: starshine_CAS1210427-80-7
- Purity/Analytical method: >99.0%
-
5-(5-Bromo-1H-pyrrolo-[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
- CAS RN: 1210437-59-4
- Product Code: SSC-022402
-
Methyl 6-broMo-5-Methylnicotinate
- CAS RN: 1210451-92-5
- Product Code: starshine_CAS1210451-92-5
- Purity/Analytical method: >99.0%
-
-
11H-Benzo[a]carbazole, 11-[1,1′-biphenyl]-4-yl-
- CAS RN: 1210469-44-5
- Product Code: starshine_CAS1210469-44-5
- Purity/Analytical method: >99.0%
![CAS 1210427-80-7 3′,5′-Bis-O-[(1,1-diMethylethyl)diMethylsilyl]-α-[[(1,1-diMethylethyl)diMethylsilyl]oxy]thyMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210427-80-7.gif)
![CAS 1210437-59-4 5-(5-Bromo-1H-pyrrolo-[2,3-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210437-59-4.gif)
![CAS 1210469-09-2 5-bromo-11-phenyl-11H-benzo[a]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210469-09-2.gif)
![CAS 1210469-44-5 11H-Benzo[a]carbazole, 11-[1,1′-biphenyl]-4-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210469-44-5.gif)