1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride

C7H11BrCl2N2 — CID 138110830

IUPAC1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
SMILESCC(N)c1cncc(Br)c1.Cl.Cl
InChIInChI=1S/C7H9BrN2.2ClH/c1-5(9)6-2-7(8)4-10-3-6;;/h2-5H,9H2,1H3;2*1H
InChIKeyORFXWWIUGLXZTI-UHFFFAOYSA-N
MW273.99 g/mol
LogP2.71
Rot. Bonds1

About 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride

1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride (PubChem CID 138110830) has the molecular formula C7H11BrCl2N2 and a molecular weight of 273.99 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
PubChem CID138110830
Molecular FormulaC7H11BrCl2N2
Molecular Weight273.99 g/mol
Exact Mass271.95
IUPAC Name1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
SMILESCC(N)c1cncc(Br)c1.Cl.Cl
InChIInChI=1S/C7H9BrN2.2ClH/c1-5(9)6-2-7(8)4-10-3-6;;/h2-5H,9H2,1H3;2*1H
InChIKeyORFXWWIUGLXZTI-UHFFFAOYSA-N
XLogP2.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.99
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
5-[(1R)-1-aminoethyl]pyridin-3-amine
CID 55275207
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171198685
1-(3,5-dibromophenyl)ethanamine
CID 23147757
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride?
The IUPAC name of 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride (CID 138110830) is 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride is CC(N)c1cncc(Br)c1.Cl.Cl.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride?
The InChIKey is ORFXWWIUGLXZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2.2ClH/c1-5(9)6-2-7(8)4-10-3-6;;/h2-5H,9H2,1H3;2*1H.
What are the key properties of 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride?
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride has a molecular weight of 273.99 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride is sourced from PubChem (CID 138110830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).