2-methoxy-1-phenylpyridin-1-ium

C12H12NO+ — CID 22670943

IUPAC2-methoxy-1-phenylpyridin-1-ium
SMILESCOc1cccc[n+]1-c1ccccc1
InChIInChI=1S/C12H12NO/c1-14-12-9-5-6-10-13(12)11-7-3-2-4-8-11/h2-10H,1H3/q+1
InChIKeyFRLCCMCUGRXSGW-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.97
Rot. Bonds2

About 2-methoxy-1-phenylpyridin-1-ium

2-methoxy-1-phenylpyridin-1-ium (PubChem CID 22670943) has the molecular formula C12H12NO+ and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-methoxy-1-phenylpyridin-1-ium.

Molecular Properties

Compound Name2-methoxy-1-phenylpyridin-1-ium
PubChem CID22670943
Molecular FormulaC12H12NO+
Molecular Weight186.23 g/mol
Exact Mass186.09
IUPAC Name2-methoxy-1-phenylpyridin-1-ium
SMILESCOc1cccc[n+]1-c1ccccc1
InChIInChI=1S/C12H12NO/c1-14-12-9-5-6-10-13(12)11-7-3-2-4-8-11/h2-10H,1H3/q+1
InChIKeyFRLCCMCUGRXSGW-UHFFFAOYSA-N
XLogP1.97
TPSA13.11 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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenylpyridin-1-ium?
The IUPAC name of 2-methoxy-1-phenylpyridin-1-ium (CID 22670943) is 2-methoxy-1-phenylpyridin-1-ium.
What is the SMILES notation for 2-methoxy-1-phenylpyridin-1-ium?
The canonical SMILES for 2-methoxy-1-phenylpyridin-1-ium is COc1cccc[n+]1-c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenylpyridin-1-ium?
The InChIKey is FRLCCMCUGRXSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO/c1-14-12-9-5-6-10-13(12)11-7-3-2-4-8-11/h2-10H,1H3/q+1.
What are the key properties of 2-methoxy-1-phenylpyridin-1-ium?
2-methoxy-1-phenylpyridin-1-ium has a molecular weight of 186.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenylpyridin-1-ium is sourced from PubChem (CID 22670943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).