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

C13H12BrClN2 — CID 105034465

IUPAC1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H12BrClN2/c14-10-3-4-12(15)11(7-10)13(16)6-9-2-1-5-17-8-9/h1-5,7-8,13H,6,16H2
InChIKeyLXZNZIUMUQWSBX-UHFFFAOYSA-N
MW311.61 g/mol
LogP3.74
Rot. Bonds3

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

1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine (PubChem CID 105034465) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
PubChem CID105034465
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H12BrClN2/c14-10-3-4-12(15)11(7-10)13(16)6-9-2-1-5-17-8-9/h1-5,7-8,13H,6,16H2
InChIKeyLXZNZIUMUQWSBX-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
CID 105034708
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822181
4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline
CID 105263506
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029176
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine (CID 105034465) is 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine is NC(Cc1cccnc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine?
The InChIKey is LXZNZIUMUQWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c14-10-3-4-12(15)11(7-10)13(16)6-9-2-1-5-17-8-9/h1-5,7-8,13H,6,16H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine?
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine has a molecular weight of 311.61 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).