[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride

C7H10BrClN2 — CID 89251843

IUPAC[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride
SMILESC[C@@H]([NH3+])c1ccnc(Br)c1.[Cl-]
InChIInChI=1S/C7H9BrN2.ClH/c1-5(9)6-2-3-10-7(8)4-6;/h2-5H,9H2,1H3;1H/t5-;/m1./s1
InChIKeyQRBWBDQDDUSRKD-NUBCRITNSA-N
MW237.53 g/mol
LogP-1.85
Rot. Bonds1

About [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride

[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride (PubChem CID 89251843) has the molecular formula C7H10BrClN2 and a molecular weight of 237.53 g/mol. Its IUPAC name is [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride.

Molecular Properties

Compound Name[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride
PubChem CID89251843
Molecular FormulaC7H10BrClN2
Molecular Weight237.53 g/mol
Exact Mass235.97
IUPAC Name[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride
SMILESC[C@@H]([NH3+])c1ccnc(Br)c1.[Cl-]
InChIInChI=1S/C7H9BrN2.ClH/c1-5(9)6-2-3-10-7(8)4-6;/h2-5H,9H2,1H3;1H/t5-;/m1./s1
InChIKeyQRBWBDQDDUSRKD-NUBCRITNSA-N
XLogP-1.85
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-pyridinyl)propan-1-amine
CID 87304996
(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
CID 130973088
1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
CID 130059138
(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
CID 171240805
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807
[1-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-oxoethyl]azanium chloride
CID 11131760
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
2-bromo-4-(4-propan-2-ylphenyl)pyridine
CID 83744883
1-[(1R)-1-(2-bromo-4-pyridinyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289092
(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
CID 171203436
(1S)-1-(2-bromo-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 130987039
2,4-dibromopyridine
CID 817104

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride?
The IUPAC name of [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride (CID 89251843) is [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride.
What is the SMILES notation for [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride?
The canonical SMILES for [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride is C[C@@H]([NH3+])c1ccnc(Br)c1.[Cl-].
What is the InChIKey of [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride?
The InChIKey is QRBWBDQDDUSRKD-NUBCRITNSA-N. The full InChI is InChI=1S/C7H9BrN2.ClH/c1-5(9)6-2-3-10-7(8)4-6;/h2-5H,9H2,1H3;1H/t5-;/m1./s1.
What are the key properties of [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride?
[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride has a molecular weight of 237.53 g/mol, XLogP of -1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride is sourced from PubChem (CID 89251843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).