(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride

C9H12BrClN2 — CID 171203392

IUPAC(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C9H11BrN2.ClH/c1-2-4-7(11)8-5-3-6-9(10)12-8;/h2-3,5-7H,1,4,11H2;1H/t7-;/m1./s1
InChIKeyWYTBSHYHSVPMBH-OGFXRTJISA-N
MW263.57 g/mol
LogP2.84
Rot. Bonds3

About (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride

(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride (PubChem CID 171203392) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
PubChem CID171203392
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC Name(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C9H11BrN2.ClH/c1-2-4-7(11)8-5-3-6-9(10)12-8;/h2-3,5-7H,1,4,11H2;1H/t7-;/m1./s1
InChIKeyWYTBSHYHSVPMBH-OGFXRTJISA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
CID 171203412
1-(6-chloro-2-pyridinyl)but-3-en-1-amine
CID 55294039
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171222960
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
(1S)-1-(5-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171222795
1-[(1S)-1-(6-bromo-2-pyridinyl)but-3-enyl]piperazine;dihydrochloride
CID 171276411
(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
CID 130606678

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride (CID 171203392) is (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride is C=CC[C@@H](N)c1cccc(Br)n1.Cl.
What is the InChIKey of (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride?
The InChIKey is WYTBSHYHSVPMBH-OGFXRTJISA-N. The full InChI is InChI=1S/C9H11BrN2.ClH/c1-2-4-7(11)8-5-3-6-9(10)12-8;/h2-3,5-7H,1,4,11H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride?
(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride has a molecular weight of 263.57 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171203392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).