2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine

C21H24BrF3N4 — CID 143917088

IUPAC2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine
SMILESCCc1ccc(Br)nc1.CCc1ccc(C(F)(F)F)nc1.CNc1cccnc1
InChIInChI=1S/C8H8F3N.C7H8BrN.C6H8N2/c1-2-6-3-4-7(12-5-6)8(9,10)11;1-2-6-3-4-7(8)9-5-6;1-7-6-3-2-4-8-5-6/h3-5H,2H2,1H3;3-5H,2H2,1H3;2-5,7H,1H3
InChIKeyAEUSKQZTRYXFPI-UHFFFAOYSA-N
MW469.35 g/mol
LogP6.19
Rot. Bonds3

About 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine

2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine (PubChem CID 143917088) has the molecular formula C21H24BrF3N4 and a molecular weight of 469.35 g/mol. Its IUPAC name is 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine
PubChem CID143917088
Molecular FormulaC21H24BrF3N4
Molecular Weight469.35 g/mol
Exact Mass468.11
IUPAC Name2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine
SMILESCCc1ccc(Br)nc1.CCc1ccc(C(F)(F)F)nc1.CNc1cccnc1
InChIInChI=1S/C8H8F3N.C7H8BrN.C6H8N2/c1-2-6-3-4-7(12-5-6)8(9,10)11;1-2-6-3-4-7(8)9-5-6;1-7-6-3-2-4-8-5-6/h3-5H,2H2,1H3;3-5H,2H2,1H3;2-5,7H,1H3
InChIKeyAEUSKQZTRYXFPI-UHFFFAOYSA-N
XLogP6.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.35
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

rac-N1-(1-(pyridin-2-yl)ethyl)-N1-((3-(trifluoromethyl)pyridin-2-yl)methyl)butane-1,4-diamine
CID 53325442
1,4-Bis(3-pyridylaminomethyl)benzene
CID 58757229
US9802918, Example 29
CID 124089474
US9802918, Example 23
CID 124089486
US9802918, Example 109
CID 124089497
US9802918, Example 19
CID 124089517
US9802918, Example 90
CID 124089531
US9802918, Example 111
CID 124089558
US9802918, Example 21
CID 124089594
US9802918, Example 110
CID 124089720
US9802918, Example 108
CID 124089738
N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 76333072

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine?
The IUPAC name of 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine (CID 143917088) is 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine.
What is the SMILES notation for 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine?
The canonical SMILES for 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine is CCc1ccc(Br)nc1.CCc1ccc(C(F)(F)F)nc1.CNc1cccnc1.
What is the InChIKey of 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine?
The InChIKey is AEUSKQZTRYXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C7H8BrN.C6H8N2/c1-2-6-3-4-7(12-5-6)8(9,10)11;1-2-6-3-4-7(8)9-5-6;1-7-6-3-2-4-8-5-6/h3-5H,2H2,1H3;3-5H,2H2,1H3;2-5,7H,1H3.
What are the key properties of 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine?
2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine has a molecular weight of 469.35 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethylpyridine;5-ethyl-2-(trifluoromethyl)pyridine;N-methylpyridin-3-amine is sourced from PubChem (CID 143917088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).