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CAS 1211523-68-0 5-(difluoromethyl)pyridin-2-amine molecular structure lightbox
CAS RN: 1211523-68-0

5-(difluoromethyl)pyridin-2-amine

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Batchno.20250326 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1211523-68-0
  • Purity/Analytical Methods: >99.0%
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1211523-68-0 / 5-(difluoromethyl)pyridin-2-amine

5-(DIFLUOROMETHYL)PYRIDIN-2-AMINE | RefChem:531170 | 894-559-5

Standard CAS: 1211523-68-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211523-68-0
Multi CAS
No
Molecular Formula
C6H6F2N2
Molecular Weight
144.120000
Exact Mass
144.049905
SMILES
C1=CC(=NC=C1C(F)F)N
InChI
InChI=1S/C6H6F2N2/c7-6(8)4-1-2-5(9)10-3-4/h1-3,6H,(H2,9,10)
InChIKey
PFLFYOYMXCRVSS-UHFFFAOYSA-N
Synonyms
5-(DIFLUOROMETHYL)PYRIDIN-2-AMINE RefChem:531170 894-559-5 5-(Difluoromethyl)-2-pyridinamine MFCD18256527

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.61
TPSA
38.91

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.46

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
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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