1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride

C7H9BrClFN2 — CID 154727553

IUPAC1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
SMILESCC(N)c1ncc(F)cc1Br.Cl
InChIInChI=1S/C7H8BrFN2.ClH/c1-4(10)7-6(8)2-5(9)3-11-7;/h2-4H,10H2,1H3;1H
InChIKeyHKMCSYUMBAOADI-UHFFFAOYSA-N
MW255.52 g/mol
LogP2.42
Rot. Bonds1

About 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride

1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride (PubChem CID 154727553) has the molecular formula C7H9BrClFN2 and a molecular weight of 255.52 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
PubChem CID154727553
Molecular FormulaC7H9BrClFN2
Molecular Weight255.52 g/mol
Exact Mass253.96
IUPAC Name1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
SMILESCC(N)c1ncc(F)cc1Br.Cl
InChIInChI=1S/C7H8BrFN2.ClH/c1-4(10)7-6(8)2-5(9)3-11-7;/h2-4H,10H2,1H3;1H
InChIKeyHKMCSYUMBAOADI-UHFFFAOYSA-N
XLogP2.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride (CID 154727553) is 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride is CC(N)c1ncc(F)cc1Br.Cl.
What is the InChIKey of 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride?
The InChIKey is HKMCSYUMBAOADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2.ClH/c1-4(10)7-6(8)2-5(9)3-11-7;/h2-4H,10H2,1H3;1H.
What are the key properties of 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride?
1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride has a molecular weight of 255.52 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 154727553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).