[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride

C7H10BrClN2 — CID 89251860

IUPAC[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ccc(Br)cn1.[Cl-]
InChIInChI=1S/C7H9BrN2.ClH/c1-5(9)7-3-2-6(8)4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1
InChIKeyKSGKDUJWJNDXCO-JEDNCBNOSA-N
MW237.53 g/mol
LogP-1.85
Rot. Bonds1

About [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride

[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride (PubChem CID 89251860) has the molecular formula C7H10BrClN2 and a molecular weight of 237.53 g/mol. Its IUPAC name is [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
PubChem CID89251860
Molecular FormulaC7H10BrClN2
Molecular Weight237.53 g/mol
Exact Mass235.97
IUPAC Name[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ccc(Br)cn1.[Cl-]
InChIInChI=1S/C7H9BrN2.ClH/c1-5(9)7-3-2-6(8)4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1
InChIKeyKSGKDUJWJNDXCO-JEDNCBNOSA-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

Analyze [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
2,5-dibromopyridine;ethane
CID 90871570
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
CID 171861041
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
CID 107892788
1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114201019
S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine
CID 164929008
2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid
CID 175512349
1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
CID 171276286
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride?
The IUPAC name of [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride (CID 89251860) is [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride.
What is the SMILES notation for [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride?
The canonical SMILES for [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride is C[C@H]([NH3+])c1ccc(Br)cn1.[Cl-].
What is the InChIKey of [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride?
The InChIKey is KSGKDUJWJNDXCO-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H9BrN2.ClH/c1-5(9)7-3-2-6(8)4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1.
What are the key properties of [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride?
[(1S)-1-(5-bromo-2-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 [(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride is sourced from PubChem (CID 89251860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).