3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

CAS: 610259-30-8

Formula: C10H7F3N2O2S

SMILES: CC1=CC(=C2C(N)=C(SC2=N1)C(O)=O)C(F)(F)F

IUPAC: 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

InChI: InChI=1S/C10H7F3N2O2S/c1-3-2-4(10(11,12)13)5-6(14)7(9(16)17)18-8(5)15-3/h2H,14H2,1H3,(H,16,17)

Composition: C (43.48%), H (2.55%), F (20.63%), N (10.14%), O (11.58%), S (11.61%)

Molar Mass: 276.23

Atom Count: 25

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	276.018033136
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SWVQIDPOEAYPAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.5
Topological Polar Surface Area	76.21
Polarizability	21.59
Ring Count	2
Rotatable Bond Count	2

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