3-Methoxy-5-phenylpyridine

CAT: 0127-OR901878-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR901878-01Size:250 mg

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CAS Number

53698-52-5

MDL Number

MFCD14702089

Purity

98%

Smiles

COc1cncc(c1)c2ccccc2

Chemical Information

3-Methoxy-5-phenylpyridine

CAS Number	53698-52-5
PubChem CID	46315026
IUPAC Name	3-methoxy-5-phenylpyridine
Molecular Formula	C12H11NO
Molecular Weight	185.22
XLogP	2.4
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	166

SMILES

COC1=CN=CC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H11NO/c1-14-12-7-11(8-13-9-12)10-5-3-2-4-6-10/h2-9H,1H3

InChIKey

AJKQNXMXZIIQRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53698-52-5

CID: 46315026

Formula: C12H11NO

MW: 185.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.22
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	185.084063974
Monoisotopic Mass	185.084063974
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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
OR959445-01	2-Methoxy-5-phenylpyridine
OR1096542	2-Methoxy-3-methyl-5-phenylpyridine
OR1083530	3-Bromo-2-methoxy-5-phenylpyridine
OR1096550	3-Chloro-2-methoxy-5-phenylpyridine
OR1092730	2-methoxy-3-phenylpyridine
OR1081355	2-Methoxy-5-phenylpyridine-4-carboxaldehyde
OR959817	2-Methoxy-4-phenylpyridine
OR901887-01	4-Methoxy-2-phenylpyridine
PC1013267	2-Fluoro-3-methoxy-4-phenylpyridine
OR1085806-01	2-Chloro-3-methoxy-4-phenylpyridine

Catalog	Name
DCA69847	2-Methoxy-5-phenylpyridine
MBS5826262	3-Bromo-5-phenylpyridine
sc-486395	3-Methyl-5-phenylpyridine
425747-01	3-Fluoro-5-phenylpyridine
MBS9024935-01	2-Methoxy-4-phenylpyridine-3-boronic acid
CSB-DT4448	2-Methoxy-4- phenylpyridine-3-boronic acid
286390-01	3-Phenylpyridine
sc-265532	2-Chloro-3-cyano-5-phenylpyridine
sc-206375	2-Amino-3-methylamino-5-phenylpyridine
A601840	2-Amino-3-bromo-5-phenylpyridine