2-[(difluoromethyl)sulfanyl]pyridine-3-carboxylic acid

2-[(difluoromethyl)sulfanyl]pyridine-3-carboxylic acid

Formula: C7H5F2NO2S

SMILES: OC(=O)C1=C(SC(F)F)N=CC=C1

IUPAC: 2-[(difluoromethyl)sulfanyl]pyridine-3-carboxylic acid

InChI: InChI=1S/C7H5F2NO2S/c8-7(9)13-5-4(6(11)12)2-1-3-10-5/h1-3,7H,(H,11,12)

Composition: C (40.98%), H (2.46%), F (18.52%), N (6.83%), O (15.60%), S (15.63%)

Molar Mass: 205.18

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.000905905
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LUIBZYAYEDRJQB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.41
Topological Polar Surface Area	50.19
Polarizability	16.38
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H5F2NO2S		Quote Only