1-(3-bromo-2-pyridinyl)propan-1-amine

C8H11BrN2 — CID 112693253

IUPAC1-(3-bromo-2-pyridinyl)propan-1-amine
SMILESCCC(N)c1ncccc1Br
InChIInChI=1S/C8H11BrN2/c1-2-7(10)8-6(9)4-3-5-11-8/h3-5,7H,2,10H2,1H3
InChIKeyQWJUZEHJZLTFDT-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)propan-1-amine

1-(3-bromo-2-pyridinyl)propan-1-amine (PubChem CID 112693253) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)propan-1-amine
PubChem CID112693253
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name1-(3-bromo-2-pyridinyl)propan-1-amine
SMILESCCC(N)c1ncccc1Br
InChIInChI=1S/C8H11BrN2/c1-2-7(10)8-6(9)4-3-5-11-8/h3-5,7H,2,10H2,1H3
InChIKeyQWJUZEHJZLTFDT-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

(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
2-[(1R)-1-aminopropyl]pyridin-3-amine
CID 131036341
1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114982995
3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
CID 63198435
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034
1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348316
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 99981108
1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 102567815
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
[1-(3-bromo-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105267953
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)propan-1-amine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)propan-1-amine (CID 112693253) is 1-(3-bromo-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)propan-1-amine is CCC(N)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)propan-1-amine?
The InChIKey is QWJUZEHJZLTFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-7(10)8-6(9)4-3-5-11-8/h3-5,7H,2,10H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)propan-1-amine?
1-(3-bromo-2-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-(3-bromo-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 112693253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).