(4-methoxyphenyl)-pyridin-4-ylmethanone

C13H11NO2 — CID 26732

IUPAC(4-methoxyphenyl)-pyridin-4-ylmethanone
SMILESCOc1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C13H11NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-9H,1H3
InChIKeyFGEUIMWNIGSQPB-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.32
Rot. Bonds3

About (4-methoxyphenyl)-pyridin-4-ylmethanone

(4-methoxyphenyl)-pyridin-4-ylmethanone (PubChem CID 26732) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (4-methoxyphenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-pyridin-4-ylmethanone
PubChem CID26732
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(4-methoxyphenyl)-pyridin-4-ylmethanone
SMILESCOc1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C13H11NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-9H,1H3
InChIKeyFGEUIMWNIGSQPB-UHFFFAOYSA-N
XLogP2.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
Ave-0118
CID 9811357
4-Methoxy-3-[(pyridin-2-ylsulfanyl)methyl]benzaldehyde
CID 673663
4-Methylphenyl pyridine-3-carboxylate
CID 735961
(2E)-5-Methoxy-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1Hinden-1-one (11b)
CID 122172776
3-Methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
CID 759793
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-pyridin-4-ylmethanone?
The IUPAC name of (4-methoxyphenyl)-pyridin-4-ylmethanone (CID 26732) is (4-methoxyphenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-methoxyphenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-methoxyphenyl)-pyridin-4-ylmethanone is COc1ccc(C(=O)c2ccncc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-pyridin-4-ylmethanone?
The InChIKey is FGEUIMWNIGSQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-9H,1H3.
What are the key properties of (4-methoxyphenyl)-pyridin-4-ylmethanone?
(4-methoxyphenyl)-pyridin-4-ylmethanone has a molecular weight of 213.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 26732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).