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

C13H12ClFN2 — CID 83117908

IUPAC4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12ClFN2/c1-9(13-7-4-11(15)8-16-13)17-12-5-2-10(14)3-6-12/h2-9,17H,1H3
InChIKeySTOKTSOOPUUJPW-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

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

4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (PubChem CID 83117908) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
PubChem CID83117908
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12ClFN2/c1-9(13-7-4-11(15)8-16-13)17-12-5-2-10(14)3-6-12/h2-9,17H,1H3
InChIKeySTOKTSOOPUUJPW-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
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
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
CID 83118814
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(trifluoromethyl)aniline
CID 83118812
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (CID 83117908) is 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is CC(Nc1ccc(Cl)cc1)c1ccc(F)cn1.
What is the InChIKey of 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The InChIKey is STOKTSOOPUUJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(13-7-4-11(15)8-16-13)17-12-5-2-10(14)3-6-12/h2-9,17H,1H3.
What are the key properties of 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline has a molecular weight of 250.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 83117908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).