N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline

C13H12FIN2 — CID 114080544

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1)c1cncc(F)c1
InChIInChI=1S/C13H12FIN2/c1-9(10-6-11(14)8-16-7-10)17-13-4-2-12(15)3-5-13/h2-9,17H,1H3
InChIKeyIROLKHLKOAFWFG-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.00
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline (PubChem CID 114080544) has the molecular formula C13H12FIN2 and a molecular weight of 342.16 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
PubChem CID114080544
Molecular FormulaC13H12FIN2
Molecular Weight342.16 g/mol
Exact Mass342.00
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1)c1cncc(F)c1
InChIInChI=1S/C13H12FIN2/c1-9(10-6-11(14)8-16-7-10)17-13-4-2-12(15)3-5-13/h2-9,17H,1H3
InChIKeyIROLKHLKOAFWFG-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
CID 97337942
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1H-indazol-5-amine
CID 103932201
N-[2-fluoro-5-[1-(5-fluoro-3-pyridinyl)ethylamino]phenyl]acetamide
CID 103935526
N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
CID 103935529
4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
3,4-difluoro-N-[1-(4-iodophenyl)ethyl]aniline
CID 43761590
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine
CID 115729387

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline (CID 114080544) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline is CC(Nc1ccc(I)cc1)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline?
The InChIKey is IROLKHLKOAFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2/c1-9(10-6-11(14)8-16-7-10)17-13-4-2-12(15)3-5-13/h2-9,17H,1H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline has a molecular weight of 342.16 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline is sourced from PubChem (CID 114080544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).