5-(difluoromethyl)pyrazine-2-carboxylic acid

5-(difluoromethyl)pyrazine-2-carboxylic acid

CAS: 1174321-06-2

Formula: C6H4F2N2O2

SMILES: OC(=O)C1=CN=C(C=N1)C(F)F

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

InChI: InChI=1S/C6H4F2N2O2/c7-5(8)3-1-10-4(2-9-3)6(11)12/h1-2,5H,(H,11,12)

Composition: C (41.39%), H (2.32%), F (21.82%), N (16.09%), O (18.38%)

Molar Mass: 174.107

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.024083703
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UYWJPTNAOQSWOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.36
Topological Polar Surface Area	63.08
Polarizability	12.58
Ring Count	1
Rotatable Bond Count	2

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