2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine

C13H10BrF3N2 — CID 105036929

IUPAC2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10BrF3N2/c14-8-1-7(5-19-6-8)2-12(18)13-10(16)3-9(15)4-11(13)17/h1,3-6,12H,2,18H2
InChIKeyGHOHJHWOJQIIIK-UHFFFAOYSA-N
MW331.14 g/mol
LogP3.50
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 105036929) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID105036929
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10BrF3N2/c14-8-1-7(5-19-6-8)2-12(18)13-10(16)3-9(15)4-11(13)17/h1,3-6,12H,2,18H2
InChIKeyGHOHJHWOJQIIIK-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030125

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 105036929) is 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine is NC(Cc1cncc(Br)c1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is GHOHJHWOJQIIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c14-8-1-7(5-19-6-8)2-12(18)13-10(16)3-9(15)4-11(13)17/h1,3-6,12H,2,18H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 331.14 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 105036929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).