4- (Difluoromethoxy) -3-nitropyridine

CAT: 0926-PYB36074-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-PYB36074-01Size:100 mg

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CAS Number

1214360-74-3

MDL Number

MFCD13185868

Smiles

C1=CN=CC (=C1OC (F) F) [N+] (=O) [O-]

Molecular Formula

C6H4F2N2O3

Molecular Weight

190.1 g/mol

Controlled

Chemical Information

4-Difluoromethoxy-3-nitropyridine

CAS Number	1214360-74-3
PubChem CID	112756072
IUPAC Name	4-(difluoromethoxy)-3-nitropyridine
Molecular Formula	C6H4F2N2O3
Molecular Weight	190.10
XLogP	1.6
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	185

SMILES

C1=CN=CC(=C1OC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C6H4F2N2O3/c7-6(8)13-5-1-2-9-3-4(5)10(11)12/h1-3,6H

InChIKey

FEVJSTPDIPGFNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1214360-74-3

CID: 112756072

Formula: C6H4F2N2O3

MW: 190.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.10
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	190.01899832
Monoisotopic Mass	190.01899832
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	185
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
SXB81341	2- (Difluoromethoxy) -5-nitropyridine
FF77845-01	4-Fluoro-3-nitropyridine
FM09694-01	4-Methoxy-3-nitropyridine
FH05482-01	4-Hydroxy-3-nitropyridine
FB11477-01	3-Bromo-4-nitropyridine
FA03573-01	4-Amino-3-nitropyridine
IDA19001	4- (Difluoromethoxy) -3-fluoroaniline
PYB37956	4- (Difluoromethoxy) -3-fluorobenzaldehyde
HIB73934-01	4- (Difluoromethoxy) -3-methoxyaniline
XDA96382	3- (Difluoromethoxy) -4-methoxyaniline

Catalog	Name
PC510284	3- (Difluoromethoxy) -2-nitropyridine
PC56808-01	2- (Difluoromethoxy) -5-nitropyridine
423176-01	3- (Difluoromethoxy) benzylamine
TRC-D452240-50MG	3-(Difluoromethoxy)nitrobenzene
PC3971-01	3- (Difluoromethoxy) nitrobenzene
PC9371-01	3- (Difluoromethoxy) benzaldehyde
PC5953-01	3- (Difluoromethoxy) phenylacetylene
PC7864-01	3- (Difluoromethoxy) aniline
PC6856-01	3- (Difluoromethoxy) phenylacetonitrile
PC1003213-01	3- (Difluoromethoxy) isonicotinonitrile