1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide

C15H17FINO — CID 160684037

IUPAC1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide
SMILESCC[n+]1ccc(OCc2ccc(C)cc2F)cc1.[I-]
InChIInChI=1S/C15H17FNO.HI/c1-3-17-8-6-14(7-9-17)18-11-13-5-4-12(2)10-15(13)16;/h4-10H,3,11H2,1-2H3;1H/q+1;/p-1
InChIKeyUAUWJLANKWKNMA-UHFFFAOYSA-M
MW373.21 g/mol
LogP0.02
Rot. Bonds4

About 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide

1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide (PubChem CID 160684037) has the molecular formula C15H17FINO and a molecular weight of 373.21 g/mol. Its IUPAC name is 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide.

Molecular Properties

Compound Name1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide
PubChem CID160684037
Molecular FormulaC15H17FINO
Molecular Weight373.21 g/mol
Exact Mass373.03
IUPAC Name1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide
SMILESCC[n+]1ccc(OCc2ccc(C)cc2F)cc1.[I-]
InChIInChI=1S/C15H17FNO.HI/c1-3-17-8-6-14(7-9-17)18-11-13-5-4-12(2)10-15(13)16;/h4-10H,3,11H2,1-2H3;1H/q+1;/p-1
InChIKeyUAUWJLANKWKNMA-UHFFFAOYSA-M
XLogP0.02
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol
CID 159288988
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
4-[3,4-bis[(4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(4-fluorophenyl)methoxy]-3-[(4-methylphenyl)methoxy]phenyl]butan-1-amine
CID 160724233
4-[(2,4-difluorophenyl)methoxy]-1-(4-methylphenyl)pyridin-2-one
CID 141203521
1-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]-4-methylpent-4-en-1-one
CID 142835435
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide?
The IUPAC name of 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide (CID 160684037) is 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide.
What is the SMILES notation for 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide?
The canonical SMILES for 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide is CC[n+]1ccc(OCc2ccc(C)cc2F)cc1.[I-].
What is the InChIKey of 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide?
The InChIKey is UAUWJLANKWKNMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17FNO.HI/c1-3-17-8-6-14(7-9-17)18-11-13-5-4-12(2)10-15(13)16;/h4-10H,3,11H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide?
1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide has a molecular weight of 373.21 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide is sourced from PubChem (CID 160684037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).