2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine

C13H11BrClFN2 — CID 107995163

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11BrClFN2/c14-10-3-8(6-18-7-10)4-13(17)9-1-2-11(15)12(16)5-9/h1-3,5-7,13H,4,17H2
InChIKeyNHZQUTVUHDEDCS-UHFFFAOYSA-N
MW329.60 g/mol
LogP3.88
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 107995163) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID107995163
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11BrClFN2/c14-10-3-8(6-18-7-10)4-13(17)9-1-2-11(15)12(16)5-9/h1-3,5-7,13H,4,17H2
InChIKeyNHZQUTVUHDEDCS-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
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-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine (CID 107995163) is 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine is NC(Cc1cncc(Br)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is NHZQUTVUHDEDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c14-10-3-8(6-18-7-10)4-13(17)9-1-2-11(15)12(16)5-9/h1-3,5-7,13H,4,17H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine has a molecular weight of 329.60 g/mol, XLogP of 3.88, 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-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 107995163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).