3-nitro-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-nitro-5-(trifluoromethyl)pyridine-2-carboxylic acid

CAS: 1214333-19-3

Formula: C7H3F3N2O4

SMILES: OC(=O)C1=NC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 3-nitro-5-(trifluoromethyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C7H3F3N2O4/c8-7(9,10)3-1-4(12(15)16)5(6(13)14)11-2-3/h1-2H,(H,13,14)

Composition: C (35.61%), H (1.28%), F (24.14%), N (11.87%), O (27.10%)

Molar Mass: 236.106

Atom Count: 19

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.004491074
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VFMOFYUJXZZVGL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.08
Topological Polar Surface Area	93.33
Polarizability	15.51
Ring Count	1
Rotatable Bond Count	3

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