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

C14H13BrF2N2 — CID 112582924

IUPAC2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1Br)c1ccc(F)cn1
InChIInChI=1S/C14H13BrF2N2/c1-2-12(14-6-4-10(17)8-18-14)19-13-5-3-9(16)7-11(13)15/h3-8,12,19H,2H2,1H3
InChIKeyYICUGYFREUZJHQ-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.69
Rot. Bonds4

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

2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (PubChem CID 112582924) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
PubChem CID112582924
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1Br)c1ccc(F)cn1
InChIInChI=1S/C14H13BrF2N2/c1-2-12(14-6-4-10(17)8-18-14)19-13-5-3-9(16)7-11(13)15/h3-8,12,19H,2H2,1H3
InChIKeyYICUGYFREUZJHQ-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938475
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582927
2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938659
1-[2-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]ethanol
CID 115938696
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939916

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (CID 112582924) is 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is CCC(Nc1ccc(F)cc1Br)c1ccc(F)cn1.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The InChIKey is YICUGYFREUZJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-2-12(14-6-4-10(17)8-18-14)19-13-5-3-9(16)7-11(13)15/h3-8,12,19H,2H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline has a molecular weight of 327.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is sourced from PubChem (CID 112582924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).