(1-methoxypyridin-1-ium-4-yl)-phenylmethanone

C13H12NO2+ — CID 58571610

IUPAC(1-methoxypyridin-1-ium-4-yl)-phenylmethanone
SMILESCO[n+]1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12NO2/c1-16-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKeyQIMQOJVMQMDBTA-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.26
Rot. Bonds3

About (1-methoxypyridin-1-ium-4-yl)-phenylmethanone

(1-methoxypyridin-1-ium-4-yl)-phenylmethanone (PubChem CID 58571610) has the molecular formula C13H12NO2+ and a molecular weight of 214.24 g/mol. Its IUPAC name is (1-methoxypyridin-1-ium-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methoxypyridin-1-ium-4-yl)-phenylmethanone
PubChem CID58571610
Molecular FormulaC13H12NO2+
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name(1-methoxypyridin-1-ium-4-yl)-phenylmethanone
SMILESCO[n+]1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12NO2/c1-16-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKeyQIMQOJVMQMDBTA-UHFFFAOYSA-N
XLogP1.26
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1-methoxypyridin-1-ium-3-yl)-phenylmethanone
CID 58571661
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229

Frequently Asked Questions

What is the IUPAC name of (1-methoxypyridin-1-ium-4-yl)-phenylmethanone?
The IUPAC name of (1-methoxypyridin-1-ium-4-yl)-phenylmethanone (CID 58571610) is (1-methoxypyridin-1-ium-4-yl)-phenylmethanone.
What is the SMILES notation for (1-methoxypyridin-1-ium-4-yl)-phenylmethanone?
The canonical SMILES for (1-methoxypyridin-1-ium-4-yl)-phenylmethanone is CO[n+]1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (1-methoxypyridin-1-ium-4-yl)-phenylmethanone?
The InChIKey is QIMQOJVMQMDBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO2/c1-16-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h2-10H,1H3/q+1.
What are the key properties of (1-methoxypyridin-1-ium-4-yl)-phenylmethanone?
(1-methoxypyridin-1-ium-4-yl)-phenylmethanone has a molecular weight of 214.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxypyridin-1-ium-4-yl)-phenylmethanone is sourced from PubChem (CID 58571610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).