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

C13H10BrCl2FN2 — CID 107787554

IUPAC4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H10BrCl2FN2/c1-7(10-4-2-8(17)6-18-10)19-11-5-3-9(14)12(15)13(11)16/h2-7,19H,1H3
InChIKeyUBNVLIQXMOBBAS-UHFFFAOYSA-N
MW364.05 g/mol
LogP5.46
Rot. Bonds3

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

4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (PubChem CID 107787554) has the molecular formula C13H10BrCl2FN2 and a molecular weight of 364.05 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
PubChem CID107787554
Molecular FormulaC13H10BrCl2FN2
Molecular Weight364.05 g/mol
Exact Mass361.94
IUPAC Name4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H10BrCl2FN2/c1-7(10-4-2-8(17)6-18-10)19-11-5-3-9(14)12(15)13(11)16/h2-7,19H,1H3
InChIKeyUBNVLIQXMOBBAS-UHFFFAOYSA-N
XLogP5.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.05
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline
CID 107787506
3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
CID 83117200
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
CID 83118093
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(trifluoromethyl)aniline
CID 83118812
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (CID 107787554) is 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is CC(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(F)cn1.
What is the InChIKey of 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The InChIKey is UBNVLIQXMOBBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2FN2/c1-7(10-4-2-8(17)6-18-10)19-11-5-3-9(14)12(15)13(11)16/h2-7,19H,1H3.
What are the key properties of 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline has a molecular weight of 364.05 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 107787554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).