2- (3-Methoxybenzoyl) pyridine

CAT: 0127-OR1025308-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1025308-01Size:100 mg

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CAS Number

55030-49-4

Synonyms

(3-methoxyphenyl) -pyridin-2-ylmethanone

Purity

95%

Smiles

COC1=CC=CC(=C1)C(=O)C2=CC=CC=N2

Chemical Information

2-(3-Methoxybenzoyl)pyridine

CAS Number	55030-49-4
PubChem CID	10656216
IUPAC Name	(3-methoxyphenyl)-pyridin-2-ylmethanone
Molecular Formula	C13H11NO2
Molecular Weight	213.23
XLogP	1.9
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	242

SMILES

COC1=CC=CC(=C1)C(=O)C2=CC=CC=N2

InChI

InChI=1S/C13H11NO2/c1-16-11-6-4-5-10(9-11)13(15)12-7-2-3-8-14-12/h2-9H,1H3

InChIKey

YBVDKZSACQCHFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55030-49-4

CID: 10656216

Formula: C13H11NO2

MW: 213.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.23
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	213.078978594
Monoisotopic Mass	213.078978594
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242
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
OR1082259	3- (2-Methoxybenzoyl) benzonitrile
OR29119	O1- (3-methoxybenzoyl) -2-chloroethanehydroximamide
PC9296-01	2-Fluoro-3-methoxybenzoyl chloride
OR200132-01	2-Hydroxy-3-methoxybenzoyl chloride
PC302725-01	3-Fluoro-2-methoxybenzoyl chloride
OR923787-01	3-Methoxybenzoyl chloride
OR1098522	3- (3-Methoxybenzoyl) benzonitrile
OR29824	2-Methoxybenzoyl chloride
PC302659-01	2,3-Difluoro-6-methoxybenzoyl chloride
PC1023968-01	3,4-difluoro-2-methoxybenzoyl chloride

Catalog	Name
KKA41755-01	3- (3-Methoxybenzoyl) pyridine
GAA30518-01	2- (4-Methoxybenzoyl) pyridine
XAA94563-01	2- (2-Methoxybenzoyl) pyridine
IJB11673-01	3- (3-Methoxybenzoyl) -1H-pyrrolo[2,3-b]pyridine
GCA97091	3- (Pyridine-2-carbonyl) pyridine
MBS6106438-01	3-Vinylpyridine (3-Vinyl-pyridine, 3-Ethenyl-pyridine)
WAA01166-01	3- (3-Chloropropyl) pyridine
C5029-30	3- (3-Chlorophenylethyl) pyridine
MBS6119053-01	3-(3-Chlorophenylethyl)pyridine
RQB88914-01	3- (3-Bromophenoxymethyl) pyridine