(4-Methoxyphenyl)-2-pyridinylmethanone

HCID 80559
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Basic information

CAS
6305-18-6
Standard SMILES
COc1ccc(C(=O)c2ccccn2)cc1
InChIKey
ZYZQOYSKLICWGX-UHFFFAOYSA-N
Molecular formula
C13H11NO2
Average molar mass
213.23 g/mol
Monoisotopic mass
213.07897859

Names & identifiers

Preferred name
(4-Methoxyphenyl)-2-pyridinylmethanone
IUPAC
(4-methoxyphenyl)-pyridin-2-ylmethanone
English name
2-(4-METHOXYBENZOYL)PYRIDINE
Molecular formula
C13H11NO2
Molecular weight
213.23

Names & synonyms

6305-18-6Ketone, p-methoxyphenyl 2-pyridyl(4-Methoxyphenyl)-2-pyridinylmethanoneDTXSID30212376RefChem:1050431DTXCID301348672-(4-Methoxybenzoyl)pyridine(4-methoxyphenyl)-pyridin-2-ylmethanone4-Methoxyphenyl 2-pyridyl ketoneMFCD01716432(4-METHOXYPHENYL)(PYRIDIN-2-YL)METHANONEMethanone, (4-methoxyphenyl)-2-pyridinyl-
Show more names
(4-Methoxyphenyl)2-pyridinylmethanone(4-Methoxyphenyl)(2-pyridinyl) ketone
p-Methoxyphenyl 2-pyridylketoneBRN 0152914SCHEMBL3347086GAA30518NSC41690Ketone, p-methoxyphenyl 2-pyridinylNSC 41690NSC-41690

Database identifiers

CAS
6305-18-6
PubChem CID
80559
DTXSID
DTXSID30212376
Nikkaji
J105.192J

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
60 · 60-61 °C
Boiling point
353.22 °C · 353.22°C (rough estimate)
Density
1.1544 · 1.1544 (rough estimate)
refractive index
1.57 · 1.5700 (estimate)
pka
2.97 · 2.97±0.10(Predicted)
EWG's Food Scores
1 · 1

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers10 total

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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