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

C13H11ClF2N2 — CID 113354863

IUPAC3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1cc(F)cc(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11ClF2N2/c1-8(13-3-2-10(15)7-17-13)18-12-5-9(14)4-11(16)6-12/h2-8,18H,1H3
InChIKeyZVWFBOMAVCJAEI-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.19
Rot. Bonds3

About 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline

3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (PubChem CID 113354863) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
PubChem CID113354863
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1cc(F)cc(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11ClF2N2/c1-8(13-3-2-10(15)7-17-13)18-12-5-9(14)4-11(16)6-12/h2-8,18H,1H3
InChIKeyZVWFBOMAVCJAEI-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
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
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(trifluoromethyl)aniline
CID 83118812
3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
CID 83117200
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (CID 113354863) is 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is CC(Nc1cc(F)cc(Cl)c1)c1ccc(F)cn1.
What is the InChIKey of 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The InChIKey is ZVWFBOMAVCJAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-8(13-3-2-10(15)7-17-13)18-12-5-9(14)4-11(16)6-12/h2-8,18H,1H3.
What are the key properties of 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline has a molecular weight of 268.69 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 113354863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).