Text Search
Structure Search

4-{[5-(trifluoromethyl)pyridin-2-yl]amino}butanoic acid

4-{[5-(trifluoromethyl)pyridin-2-yl]amino}butanoic acid

CAS: 923121-46-4

Formula: C10H11F3N2O2

SMILES: OC(=O)CCCNC1=CC=C(C=N1)C(F)(F)F

IUPAC: 4-{[5-(trifluoromethyl)pyridin-2-yl]amino}butanoic acid

InChI: InChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-4-8(15-6-7)14-5-1-2-9(16)17/h3-4,6H,1-2,5H2,(H,14,15)(H,16,17)

Composition: C (48.39%), H (4.47%), F (22.96%), N (11.29%), O (12.89%)

Molar Mass: 248.205

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.077262091
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MNQZWJWVLSAYMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.92
Topological Polar Surface Area 62.22
Polarizability 19.81
Ring Count 1
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 923121-46-4 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 923121-46-4 $60.53-$244.63$60.53$95.84$244.63
Request Quote