5-fluoro-2-methylquinolin-1-ium iodide

C10H9FIN — CID 170258200

IUPAC5-fluoro-2-methylquinolin-1-ium iodide
SMILESCc1ccc2c(F)cccc2[nH+]1.[I-]
InChIInChI=1S/C10H8FN.HI/c1-7-5-6-8-9(11)3-2-4-10(8)12-7;/h2-6H,1H3;1H
InChIKeyOVSZOHYODMDNNL-UHFFFAOYSA-N
MW289.09 g/mol
LogP-0.89
Rot. Bonds

About 5-fluoro-2-methylquinolin-1-ium iodide

5-fluoro-2-methylquinolin-1-ium iodide (PubChem CID 170258200) has the molecular formula C10H9FIN and a molecular weight of 289.09 g/mol. Its IUPAC name is 5-fluoro-2-methylquinolin-1-ium iodide.

Molecular Properties

Compound Name5-fluoro-2-methylquinolin-1-ium iodide
PubChem CID170258200
Molecular FormulaC10H9FIN
Molecular Weight289.09 g/mol
Exact Mass288.98
IUPAC Name5-fluoro-2-methylquinolin-1-ium iodide
SMILESCc1ccc2c(F)cccc2[nH+]1.[I-]
InChIInChI=1S/C10H8FN.HI/c1-7-5-6-8-9(11)3-2-4-10(8)12-7;/h2-6H,1H3;1H
InChIKeyOVSZOHYODMDNNL-UHFFFAOYSA-N
XLogP-0.89
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-difluorophenyl)-1,3-difluorobenzene
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(2,6-difluorophenoxy)-dimethylalumane
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1-ethyl-5-fluoro-2-methylnaphthalene
CID 146553959
(5-fluoro-1-methylnaphthalen-2-yl)methanamine
CID 115057589
1,2,8-trifluorophenanthrene
CID 123788571
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
1,5,6-trifluorophenanthrene
CID 123759706
1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 58073941
azane;1-fluoro-7-methylnaphthalene
CID 174703926
4-fluoro-2-methyl-1H-indazol-2-ium
CID 123918392
8-fluoro-1,1,2,2-tetramethylnaphthalene
CID 146429705

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylquinolin-1-ium iodide?
The IUPAC name of 5-fluoro-2-methylquinolin-1-ium iodide (CID 170258200) is 5-fluoro-2-methylquinolin-1-ium iodide.
What is the SMILES notation for 5-fluoro-2-methylquinolin-1-ium iodide?
The canonical SMILES for 5-fluoro-2-methylquinolin-1-ium iodide is Cc1ccc2c(F)cccc2[nH+]1.[I-].
What is the InChIKey of 5-fluoro-2-methylquinolin-1-ium iodide?
The InChIKey is OVSZOHYODMDNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN.HI/c1-7-5-6-8-9(11)3-2-4-10(8)12-7;/h2-6H,1H3;1H.
What are the key properties of 5-fluoro-2-methylquinolin-1-ium iodide?
5-fluoro-2-methylquinolin-1-ium iodide has a molecular weight of 289.09 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylquinolin-1-ium iodide is sourced from PubChem (CID 170258200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).