Methyl 2-fluoro-5-hydroxyisonicotinate

CAT: 0127-PC110628-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC110628-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1256792-27-4

Purity

96%

Smiles

O=C(C1=CC(F)=NC=C1O)OC

Chemical Information

Methyl 2-fluoro-5-hydroxyisonicotinate

CAS Number	1256792-27-4
PubChem CID	129917204
IUPAC Name	methyl 2-fluoro-5-hydroxypyridine-4-carboxylate
Molecular Formula	C7H6FNO3
Molecular Weight	171.13
XLogP	1.3
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

COC(=O)C1=CC(=NC=C1O)F

InChI

InChI=1S/C7H6FNO3/c1-12-7(11)4-2-6(8)9-3-5(4)10/h2-3,10H,1H3

InChIKey

KPCKZTLGKBZFCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256792-27-4

CID: 129917204

Formula: C7H6FNO3

MW: 171.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.13
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	171.03317122
Monoisotopic Mass	171.03317122
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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
OR1073478-01	Methyl 2-chloro-5-hydroxyisonicotinate
OR3795-01	Methyl 5-bromo-2-hydroxyisonicotinate
OR51771-01	Methyl 3-hydroxyisonicotinate
OR1069525-01	Ethyl 2-bromo-5-hydroxyisonicotinate
OR1101700	Methyl 2,6-dichloro-3-hydroxyisonicotinate
OR51767	Ethyl 3-hydroxyisonicotinate
PC1015093-01	Methyl 2-fluoro-5-methyl-α-oxobenzeneacetate
PC1015343-01	Methyl 2-fluoro-5-isopropoxybenzoate
PC1026514-01	Methyl 2-fluoro-5-isopropylbenzoate
PC1026488-01	Methyl 2-fluoro-5-methoxynicotinate

Catalog	Name
455264-01	Methyl 3-hydroxyisonicotinate
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455714-01	Methyl 5-fluoro-2-phenylbenzoate
454954-01	Methyl 2-fluoro-5-nitrobenzoate
ZTB05248-01	Methyl 2-fluoro-5-sulfamoylbenzoate
CYB89748	Methyl 5-fluoro-2-iodobenzoate
454953-01	Methyl 2-fluoro-5-methylbenzoate
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