3-Fluoroisonicotinaldehyde oxime

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CAS Number

471909-36-1

MDL Number

MFCD28384887

Purity

97%

Smiles

C1cncc (c1/C=NO) F

Chemical Information

3-Fluoroisonicotinaldehyde oxime

CAS Number	471909-36-1
PubChem CID	136829115
IUPAC Name	(NZ)-N-[(3-fluoro-4-pyridinyl)methylidene]hydroxylamine
Molecular Formula	C6H5FN2O
Molecular Weight	140.11
XLogP	0.7
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

C1=CN=CC(=C1/C=N\O)F

InChI

InChI=1S/C6H5FN2O/c7-6-4-8-2-1-5(6)3-9-10/h1-4,10H/b9-3-

InChIKey

UCHCFFDRKKAVGD-OQFOIZHKSA-N

Chemical Structure

2D Structure

CAS: 471909-36-1

CID: 136829115

Formula: C6H5FN2O

MW: 140.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.11
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	140.03859095
Monoisotopic Mass	140.03859095
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1023629-01	(E) -3-fluoroisonicotinaldehyde O-methyl oxime
PC7038-01	3-Fluoroisonicotinaldehyde
PC1022655-01	3-Fluoroisonicotinaldehyde hydrochloride
PC201030-01	3-Chloro-2-fluoroisonicotinaldehyde
PC1009569	3-chloro-5-fluoroisonicotinaldehyde
PC51085-01	2-Chloro-3-fluoroisonicotinaldehyde
PC1186	2-Fluoroisonicotinaldehyde
PC1019449-01	3-ethoxy-2-fluoroisonicotinaldehyde
PC1010216-01	3- (cyclopropylmethoxy) -2-fluoroisonicotinaldehyde
PC100182-01	3-Bromo-5-fluoroisonicotinaldehyde