4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

C14H12BrCl2FN2 — CID 115938475

IUPAC4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cn1
InChIInChI=1S/C14H12BrCl2FN2/c1-2-12(13-4-3-9(18)7-19-13)20-14-10(16)5-8(15)6-11(14)17/h3-7,12,20H,2H2,1H3
InChIKeyNCLIHQAALBKMPL-UHFFFAOYSA-N
MW378.07 g/mol
LogP5.85
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (PubChem CID 115938475) has the molecular formula C14H12BrCl2FN2 and a molecular weight of 378.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
PubChem CID115938475
Molecular FormulaC14H12BrCl2FN2
Molecular Weight378.07 g/mol
Exact Mass375.95
IUPAC Name4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cn1
InChIInChI=1S/C14H12BrCl2FN2/c1-2-12(13-4-3-9(18)7-19-13)20-14-10(16)5-8(15)6-11(14)17/h3-7,12,20H,2H2,1H3
InChIKeyNCLIHQAALBKMPL-UHFFFAOYSA-N
XLogP5.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.07
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582927
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610
4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773726
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103936838
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (CID 115938475) is 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is CCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cn1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The InChIKey is NCLIHQAALBKMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2FN2/c1-2-12(13-4-3-9(18)7-19-13)20-14-10(16)5-8(15)6-11(14)17/h3-7,12,20H,2H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline has a molecular weight of 378.07 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is sourced from PubChem (CID 115938475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).