[email protected]
CAS 1806775-39-2 6-(Difluoromethyl)-5-methylpyridine-3-carboxamide molecular structure lightbox
CAS RN: 1806775-39-2

6-(Difluoromethyl)-5-methylpyridine-3-carboxamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1806775-39-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1806775-39-2 / 6-(difluoromethyl)-5-methylpyridine-3-carboxamide

Standard CAS: 1806775-39-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1806775-39-2
Multi CAS
No
Molecular Formula
C8H8F2N2O
Molecular Weight
186.160000
Exact Mass
186.060469
SMILES
CC1=CC(=CN=C1C(F)F)C(=O)N
InChI
InChI=1S/C8H8F2N2O/c1-4-2-5(8(11)13)3-12-6(4)7(9)10/h2-3,7H,1H3,(H2,11,13)
InChIKey
ILPTZNZFHWIRKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.45
TPSA
55.98

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
0.7
Consensus LogP
1.13
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us