5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine

C14H14BrFN2 — CID 113367248

IUPAC5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
SMILESCCN(c1ccccc1F)c1ncc(Br)cc1C
InChIInChI=1S/C14H14BrFN2/c1-3-18(13-7-5-4-6-12(13)16)14-10(2)8-11(15)9-17-14/h4-9H,3H2,1-2H3
InChIKeyOUJNOGCUQOBGGS-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.45
Rot. Bonds3

About 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine

5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine (PubChem CID 113367248) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
PubChem CID113367248
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
SMILESCCN(c1ccccc1F)c1ncc(Br)cc1C
InChIInChI=1S/C14H14BrFN2/c1-3-18(13-7-5-4-6-12(13)16)14-10(2)8-11(15)9-17-14/h4-9H,3H2,1-2H3
InChIKeyOUJNOGCUQOBGGS-UHFFFAOYSA-N
XLogP4.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine (CID 113367248) is 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine is CCN(c1ccccc1F)c1ncc(Br)cc1C.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine?
The InChIKey is OUJNOGCUQOBGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-3-18(13-7-5-4-6-12(13)16)14-10(2)8-11(15)9-17-14/h4-9H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine?
5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine has a molecular weight of 309.18 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 113367248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).