5-Fluoro-4-hydroxypyrimidine

CAT: 0127-PC2823-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC2823-01Size:5 g

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CAS Number

671-35-2

Synonyms

5-Fluoropyrimidin-4-ol

MDL Number

MFCD00223674

Purity

=95%

Smiles

Oc1ncncc1F

Storage Conditions

Store at 2-8°C

Chemical Information

5-Fluoro-4(3H)-pyrimidinone

structure

CAS Number	671-35-2
PubChem CID	101497
IUPAC Name	5-fluoro-1H-pyrimidin-6-one
Molecular Formula	C4H3FN2O
Molecular Weight	114.08
XLogP	-0.4
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	173

SMILES

C1=C(C(=O)NC=N1)F

InChI

InChI=1S/C4H3FN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)

InChIKey

NBAHQCCWEKHGTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 671-35-2

CID: 101497

Formula: C4H3FN2O

MW: 114.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.08
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	114.02294089
Monoisotopic Mass	114.02294089
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	173
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
PC2822-01	4-Ethyl-5-fluoro-6-hydroxypyrimidine
PC908749	5-Fluoro-2-hydroxypyrimidine
OR1066246-01	4-Hydroxypyrimidine-5-carboxamide
OR962470-01	4-Hydroxypyrimidine-5-carbonitrile
OR301100	5-Hydroxypyrimidine
OR917181-01	4-Hydroxypyrimidine
OR952315-01	Ethyl 4-hydroxypyrimidine-5-carboxylate
OR200071-01	4,5-Diamino-6-hydroxypyrimidine
OR15941-01	Methyl 4-hydroxypyrimidine-5-carboxylate
OR16567-01	4,5-Diamino-6-hydroxypyrimidine hemisulphate

Catalog	Name
abx185276-01	5-Fluoro-4-hydroxypyrimidine
GTR19251636-01	5-Fluoro-4-mercapto-2-hydroxypyrimidine
274805-01	4-Ethyl-5-fluoro-6-hydroxypyrimidine
abx183723-01	5-Fluoro-2-Hydroxypyrimidine
432797-01	4-Hydroxypyrimidine-5-carboxamide
432796-01	4-Hydroxypyrimidine-5-carbonitrile
sc-470133	5-Cyano-4-hydroxypyrimidine
FH24495	5-Hydroxypyrimidine
271839-01	5,6-Diamino-4-hydroxypyrimidine
sc-290367	4-Hydroxypyrimidine