(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride

C8H12BrClN2 — CID 171198661

IUPAC(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cncc(Br)c1.Cl
InChIInChI=1S/C8H11BrN2.ClH/c1-2-8(10)6-3-7(9)5-11-4-6;/h3-5,8H,2,10H2,1H3;1H/t8-;/m1./s1
InChIKeyYGSULROKNFZPRP-DDWIOCJRSA-N
MW251.55 g/mol
LogP2.68
Rot. Bonds2

About (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride

(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride (PubChem CID 171198661) has the molecular formula C8H12BrClN2 and a molecular weight of 251.55 g/mol. Its IUPAC name is (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
PubChem CID171198661
Molecular FormulaC8H12BrClN2
Molecular Weight251.55 g/mol
Exact Mass249.99
IUPAC Name(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cncc(Br)c1.Cl
InChIInChI=1S/C8H11BrN2.ClH/c1-2-8(10)6-3-7(9)5-11-4-6;/h3-5,8H,2,10H2,1H3;1H/t8-;/m1./s1
InChIKeyYGSULROKNFZPRP-DDWIOCJRSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
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)ethanamine;dihydrochloride
CID 138110830
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171198685
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
CID 130060487
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride (CID 171198661) is (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1cncc(Br)c1.Cl.
What is the InChIKey of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride?
The InChIKey is YGSULROKNFZPRP-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H11BrN2.ClH/c1-2-8(10)6-3-7(9)5-11-4-6;/h3-5,8H,2,10H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride?
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride has a molecular weight of 251.55 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171198661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).