2,6-Difluoro-4-nitropyridine

CAT: 0926-HXC17611-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HXC17611-01Size:50 mg

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CAS Number

1807176-11-9

MDL Number

MFCD28790824

Smiles

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

Molecular Formula

C5H2F2N2O2

Molecular Weight

160.08 g/mol

Controlled

Chemical Information

2,6-Difluoro-4-nitropyridine

CAS Number	1807176-11-9
PubChem CID	102148867
IUPAC Name	2,6-difluoro-4-nitropyridine
Molecular Formula	C5H2F2N2O2
Molecular Weight	160.08
XLogP	1.5
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(N=C1F)F)[N+](=O)[O-]

InChI

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

InChIKey

SECYBHQWKXUPOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807176-11-9

CID: 102148867

Formula: C5H2F2N2O2

MW: 160.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.08
XLogP3	1.5
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
CAA71425-01	4,6-Difluoro-5-nitropyrimidine
EDA05551-01	2-Chloro-6-methyl-4-nitropyridine
JXB17235-01	2,6-Difluoro-4-methoxypyridine
BMB20362-01	2,4-Difluoro-6-phenylaniline
LKB49903	2,6-Difluoro-4-methoxyphenylacetonitrile
KWB57310	2,6-Difluoro-4-iodobenzaldehyde
KAC82563-01	2,6-Difluoro-4-nitrobenzaldehyde
DXC79298-01	2,6-Difluoro-4-methylbenzonitrile
BYB59722-01	2,6-Difluoro-4-methylbenzaldehyde
FD79060-01	2,6-Difluoro-4-methoxyphenol