3-(difluoromethoxy)pyridine-4-carboxylic acid

3-(difluoromethoxy)pyridine-4-carboxylic acid

Formula: C7H5F2NO3

SMILES: OC(=O)C1=C(OC(F)F)C=NC=C1

IUPAC: 3-(difluoromethoxy)pyridine-4-carboxylic acid

InChI: InChI=1S/C7H5F2NO3/c8-7(9)13-5-3-10-2-1-4(5)6(11)12/h1-3,7H,(H,11,12)

Composition: C (44.46%), H (2.67%), F (20.09%), N (7.41%), O (25.38%)

Molar Mass: 189.118

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.023749351
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XVMLACSZUOQADC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.63
Topological Polar Surface Area	59.42
Polarizability	14.12
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H5F2NO3		Quote Only