2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine

C13H12BrFN2 — CID 79702482

IUPAC2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1ccccn1
InChIInChI=1S/C13H12BrFN2/c14-10-5-9(6-11(15)8-10)7-12(16)13-3-1-2-4-17-13/h1-6,8,12H,7,16H2
InChIKeyCQRANRMFFXXTON-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.23
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine

2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine (PubChem CID 79702482) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
PubChem CID79702482
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1ccccn1
InChIInChI=1S/C13H12BrFN2/c14-10-5-9(6-11(15)8-10)7-12(16)13-3-1-2-4-17-13/h1-6,8,12H,7,16H2
InChIKeyCQRANRMFFXXTON-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethyl]hydrazine
CID 105195822
2-(3-fluorophenyl)-1-pyridin-2-ylethanamine
CID 60819500
2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357326
2-(3-bromo-5-fluorophenyl)-1-isoquinolin-1-ylethanamine
CID 79700024
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105169346
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 115533554
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 105406178
2-(2,6-difluorophenyl)-1-pyridin-2-ylethanamine
CID 114931758

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine (CID 79702482) is 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine is NC(Cc1cc(F)cc(Br)c1)c1ccccn1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine?
The InChIKey is CQRANRMFFXXTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-10-5-9(6-11(15)8-10)7-12(16)13-3-1-2-4-17-13/h1-6,8,12H,7,16H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine?
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine has a molecular weight of 295.16 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 79702482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).