2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium

C15H14FN2O+ — CID 4744505

IUPAC2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium
SMILESCOc1ccc(-c2c[n+]3cccc(C)c3[nH]2)cc1F
InChIInChI=1S/C15H13FN2O/c1-10-4-3-7-18-9-13(17-15(10)18)11-5-6-14(19-2)12(16)8-11/h3-9H,1-2H3/p+1
InChIKeyIZWGAOFKZCCRIH-UHFFFAOYSA-O
MW257.29 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium

2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 4744505) has the molecular formula C15H14FN2O+ and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium
PubChem CID4744505
Molecular FormulaC15H14FN2O+
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium
SMILESCOc1ccc(-c2c[n+]3cccc(C)c3[nH]2)cc1F
InChIInChI=1S/C15H13FN2O/c1-10-4-3-7-18-9-13(17-15(10)18)11-5-6-14(19-2)12(16)8-11/h3-9H,1-2H3/p+1
InChIKeyIZWGAOFKZCCRIH-UHFFFAOYSA-O
XLogP2.88
TPSA29.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione
CID 106517322
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CID 18930756
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 82087611
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 82486252

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium (CID 4744505) is 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium is COc1ccc(-c2c[n+]3cccc(C)c3[nH]2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is IZWGAOFKZCCRIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13FN2O/c1-10-4-3-7-18-9-13(17-15(10)18)11-5-6-14(19-2)12(16)8-11/h3-9H,1-2H3/p+1.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium?
2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 257.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 4744505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).