(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride

C8H10BrClN2 — CID 171222960

IUPAC(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C8H9BrN2.ClH/c1-2-6(10)7-4-3-5-8(9)11-7;/h2-6H,1,10H2;1H/t6-;/m0./s1
InChIKeyTXOIJVRHFWSQCE-RGMNGODLSA-N
MW249.54 g/mol
LogP2.45
Rot. Bonds2

About (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride

(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171222960) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
PubChem CID171222960
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C8H9BrN2.ClH/c1-2-6(10)7-4-3-5-8(9)11-7;/h2-6H,1,10H2;1H/t6-;/m0./s1
InChIKeyTXOIJVRHFWSQCE-RGMNGODLSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.45
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)but-3-en-1-amine;hydrochloride
CID 171203392
(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55273929
(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 130619604
(1S)-1-(6-ethenyl-2-pyridinyl)prop-2-en-1-amine
CID 74891770
(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
CID 171203412
6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde
CID 55293225
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(1R,2S)-1-(6-bromo-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 131122744
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride (CID 171222960) is (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride is C=C[C@H](N)c1cccc(Br)n1.Cl.
What is the InChIKey of (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is TXOIJVRHFWSQCE-RGMNGODLSA-N. The full InChI is InChI=1S/C8H9BrN2.ClH/c1-2-6(10)7-4-3-5-8(9)11-7;/h2-6H,1,10H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride?
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 249.54 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171222960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).