2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline

C13H11ClFIN2 — CID 83118093

IUPAC2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H11ClFIN2/c1-8(12-4-2-9(15)7-17-12)18-13-5-3-10(16)6-11(13)14/h2-8,18H,1H3
InChIKeyKNJGWOMENDLQSH-UHFFFAOYSA-N
MW376.60 g/mol
LogP4.65
Rot. Bonds3

About 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline

2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline (PubChem CID 83118093) has the molecular formula C13H11ClFIN2 and a molecular weight of 376.60 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
PubChem CID83118093
Molecular FormulaC13H11ClFIN2
Molecular Weight376.60 g/mol
Exact Mass375.96
IUPAC Name2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H11ClFIN2/c1-8(12-4-2-9(15)7-17-12)18-13-5-3-10(16)6-11(13)14/h2-8,18H,1H3
InChIKeyKNJGWOMENDLQSH-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 54.65
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

2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(trifluoromethyl)aniline
CID 83118812
4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 107787554
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214
4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline
CID 83117435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline (CID 83118093) is 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline is CC(Nc1ccc(I)cc1Cl)c1ccc(F)cn1.
What is the InChIKey of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline?
The InChIKey is KNJGWOMENDLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFIN2/c1-8(12-4-2-9(15)7-17-12)18-13-5-3-10(16)6-11(13)14/h2-8,18H,1H3.
What are the key properties of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline?
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline has a molecular weight of 376.60 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline is sourced from PubChem (CID 83118093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).