3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline

C13H11Cl2FN2 — CID 83117743

IUPAC3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11Cl2FN2/c1-8(13-5-2-9(16)7-17-13)18-10-3-4-11(14)12(15)6-10/h2-8,18H,1H3
InChIKeyPNAGUFBCELIZLY-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.70
Rot. Bonds3

About 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline

3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (PubChem CID 83117743) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
PubChem CID83117743
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11Cl2FN2/c1-8(13-5-2-9(16)7-17-13)18-10-3-4-11(14)12(15)6-10/h2-8,18H,1H3
InChIKeyPNAGUFBCELIZLY-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788261
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
CID 83118093
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (CID 83117743) is 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is CC(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cn1.
What is the InChIKey of 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The InChIKey is PNAGUFBCELIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-8(13-5-2-9(16)7-17-13)18-10-3-4-11(14)12(15)6-10/h2-8,18H,1H3.
What are the key properties of 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline has a molecular weight of 285.15 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 83117743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).