5-(fluoromethoxy)pyrazine-2-carboxylic acid

5-(fluoromethoxy)pyrazine-2-carboxylic acid

CAS: 1174321-00-6

Formula: C6H5FN2O3

SMILES: OC(=O)C1=NC=C(OCF)N=C1

IUPAC: 5-(fluoromethoxy)pyrazine-2-carboxylic acid

InChI: InChI=1S/C6H5FN2O3/c7-3-12-5-2-8-4(1-9-5)6(10)11/h1-2H,3H2,(H,10,11)

Composition: C (41.87%), H (2.93%), F (11.04%), N (16.28%), O (27.89%)

Molar Mass: 172.115

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.028420192
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KPFYGFCSLSIHRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.13
Topological Polar Surface Area	72.31
Polarizability	13.43
Ring Count	1
Rotatable Bond Count	3

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