5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline

C13H12BrFN2 — CID 123709225

IUPAC5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline
SMILESCCc1c(-c2ccccn2)cc(Br)c(F)c1N
InChIInChI=1S/C13H12BrFN2/c1-2-8-9(11-5-3-4-6-17-11)7-10(14)12(15)13(8)16/h3-7H,2,16H2,1H3
InChIKeyHUOZTULOVYWXAD-UHFFFAOYSA-N
MW295.15 g/mol
LogP3.79
Rot. Bonds2

About 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline

5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline (PubChem CID 123709225) has the molecular formula C13H12BrFN2 and a molecular weight of 295.15 g/mol. Its IUPAC name is 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline.

Molecular Properties

Compound Name5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline
PubChem CID123709225
Molecular FormulaC13H12BrFN2
Molecular Weight295.15 g/mol
Exact Mass294.02
IUPAC Name5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline
SMILESCCc1c(-c2ccccn2)cc(Br)c(F)c1N
InChIInChI=1S/C13H12BrFN2/c1-2-8-9(11-5-3-4-6-17-11)7-10(14)12(15)13(8)16/h3-7H,2,16H2,1H3
InChIKeyHUOZTULOVYWXAD-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 6834
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8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine
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2-Fluoro-5-(5-propylpyridin-2-yl)aniline
CID 837868
(-)-Brompheniramine
CID 6328079
1-Methyl-4-[9-bromo-11H-pyrrolo[2,1-b] [3]benzazepin-11-ylidene]piperidine
CID 13141182
2-(4-Bromophenyl)pyridine
CID 1515237
2-(3-Bromophenyl)pyridine
CID 11115506
5-Bromo-2-phenylpyridine
CID 2762862
5-Bromo-2-(2-methylphenyl)pyridine
CID 13128385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline?
The IUPAC name of 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline (CID 123709225) is 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline.
What is the SMILES notation for 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline?
The canonical SMILES for 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline is CCc1c(-c2ccccn2)cc(Br)c(F)c1N.
What is the InChIKey of 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline?
The InChIKey is HUOZTULOVYWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-2-8-9(11-5-3-4-6-17-11)7-10(14)12(15)13(8)16/h3-7H,2,16H2,1H3.
What are the key properties of 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline?
5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline has a molecular weight of 295.15 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline is sourced from PubChem (CID 123709225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).