4-(4-methoxyphenyl)pyridin-1-ium

C12H12NO+ — CID 132526001

IUPAC4-(4-methoxyphenyl)pyridin-1-ium
SMILESCOc1ccc(-c2cc[nH+]cc2)cc1
InChIInChI=1S/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3/p+1
InChIKeyBDXPUDLCSHDVGK-UHFFFAOYSA-O
MW186.23 g/mol
LogP2.18
Rot. Bonds2

About 4-(4-methoxyphenyl)pyridin-1-ium

4-(4-methoxyphenyl)pyridin-1-ium (PubChem CID 132526001) has the molecular formula C12H12NO+ and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pyridin-1-ium
PubChem CID132526001
Molecular FormulaC12H12NO+
Molecular Weight186.23 g/mol
Exact Mass186.09
IUPAC Name4-(4-methoxyphenyl)pyridin-1-ium
SMILESCOc1ccc(-c2cc[nH+]cc2)cc1
InChIInChI=1S/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3/p+1
InChIKeyBDXPUDLCSHDVGK-UHFFFAOYSA-O
XLogP2.18
TPSA23.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
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CID 138981847
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 20709014
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CID 161219857
2-(4-methoxyphenyl)-1H-azirine
CID 19098652
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pyridin-1-ium?
The IUPAC name of 4-(4-methoxyphenyl)pyridin-1-ium (CID 132526001) is 4-(4-methoxyphenyl)pyridin-1-ium.
What is the SMILES notation for 4-(4-methoxyphenyl)pyridin-1-ium?
The canonical SMILES for 4-(4-methoxyphenyl)pyridin-1-ium is COc1ccc(-c2cc[nH+]cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pyridin-1-ium?
The InChIKey is BDXPUDLCSHDVGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3/p+1.
What are the key properties of 4-(4-methoxyphenyl)pyridin-1-ium?
4-(4-methoxyphenyl)pyridin-1-ium has a molecular weight of 186.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pyridin-1-ium is sourced from PubChem (CID 132526001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).