1-(5-bromo-3-pyridinyl)propan-1-amine

C8H11BrN2 — CID 67392752

IUPAC1-(5-bromo-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2/c1-2-8(10)6-3-7(9)5-11-4-6/h3-5,8H,2,10H2,1H3
InChIKeyUPGPOIOZNZTLTF-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.25
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)propan-1-amine

1-(5-bromo-3-pyridinyl)propan-1-amine (PubChem CID 67392752) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)propan-1-amine
PubChem CID67392752
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name1-(5-bromo-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2/c1-2-8(10)6-3-7(9)5-11-4-6/h3-5,8H,2,10H2,1H3
InChIKeyUPGPOIOZNZTLTF-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-amine
CID 82922561
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
CID 130060487
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171198685
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(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)propan-1-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)propan-1-amine (CID 67392752) is 1-(5-bromo-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)propan-1-amine is CCC(N)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)propan-1-amine?
The InChIKey is UPGPOIOZNZTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-8(10)6-3-7(9)5-11-4-6/h3-5,8H,2,10H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)propan-1-amine?
1-(5-bromo-3-pyridinyl)propan-1-amine has a molecular weight of 215.09 g/mol, XLogP of 2.25, 2 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)propan-1-amine is sourced from PubChem (CID 67392752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).