3,5-Difluoro-4-nitropyridine

CAT: 0127-PC1006815-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1006815-01Size:50 mg

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CAS Number

1806304-31-3

MDL Number

MFCD28790827

Purity

97%

Smiles

O=[N+](C1=C(F)C=NC=C1F)[O-]

Chemical Information

3,5-Difluoro-4-nitropyridine

CAS Number	1806304-31-3
PubChem CID	131119195
IUPAC Name	3,5-difluoro-4-nitropyridine
Molecular Formula	C5H2F2N2O2
Molecular Weight	160.08
XLogP	0.9
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

C1=C(C(=C(C=N1)F)[N+](=O)[O-])F

InChI

InChI=1S/C5H2F2N2O2/c6-3-1-8-2-4(7)5(3)9(10)11/h1-2H

InChIKey

MEHYVLBEEFDRHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1806304-31-3

CID: 131119195

Formula: C5H2F2N2O2

MW: 160.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.08
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	160.00843363
Monoisotopic Mass	160.00843363
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC50088-01	2,4-Difluoro-5-nitropyridine
PC1001964-01	3,5-Difluoro-2-nitropyridine
PC408056-01	2,3-Difluoro-5-nitropyridine
PC421115-01	2,5-Difluoro-3-nitropyridine
PC50084-01	2,4-Difluoro-3-nitropyridine
PC50087	2,6-Difluoro-3-nitropyridine
OR917240-01	3,4-Dichloro-5-nitropyridine
OR41163-01	3,5-Dichloro-4-nitropyridine
OR4480	3,5-Dibromo-4-nitropyridine
PC1007176-01	3-Chloro-5-fluoro-4-nitropyridine