(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride

C10H14BrClN2 — CID 171203412

IUPAC(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c1-2-3-5-8(12)9-6-4-7-10(11)13-9;/h2,4,6-8H,1,3,5,12H2;1H/t8-;/m1./s1
InChIKeyFMJZGUWFMWQFMV-DDWIOCJRSA-N
MW277.59 g/mol
LogP3.23
Rot. Bonds4

About (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171203412) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
PubChem CID171203412
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c1-2-3-5-8(12)9-6-4-7-10(11)13-9;/h2,4,6-8H,1,3,5,12H2;1H/t8-;/m1./s1
InChIKeyFMJZGUWFMWQFMV-DDWIOCJRSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.23
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
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
(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
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(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
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
1-(4-methylquinolin-2-yl)pent-4-en-1-amine
CID 114755015
(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
CID 130606678
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride (CID 171203412) is (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cccc(Br)n1.Cl.
What is the InChIKey of (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is FMJZGUWFMWQFMV-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H13BrN2.ClH/c1-2-3-5-8(12)9-6-4-7-10(11)13-9;/h2,4,6-8H,1,3,5,12H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 277.59 g/mol, XLogP of 3.23, 4 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)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171203412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).