[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium

C7H10BrN2+ — CID 140601962

IUPAC[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium
SMILESC[C@H]([NH3+])c1cccc(Br)n1
InChIInChI=1S/C7H9BrN2/c1-5(9)6-3-2-4-7(8)10-6/h2-5H,9H2,1H3/p+1/t5-/m0/s1
InChIKeyNVMOBBCPDRYXDX-YFKPBYRVSA-O
MW202.08 g/mol
LogP1.15
Rot. Bonds1

About [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium

[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium (PubChem CID 140601962) has the molecular formula C7H10BrN2+ and a molecular weight of 202.08 g/mol. Its IUPAC name is [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium
PubChem CID140601962
Molecular FormulaC7H10BrN2+
Molecular Weight202.08 g/mol
Exact Mass201.00
IUPAC Name[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium
SMILESC[C@H]([NH3+])c1cccc(Br)n1
InChIInChI=1S/C7H9BrN2/c1-5(9)6-3-2-4-7(8)10-6/h2-5H,9H2,1H3/p+1/t5-/m0/s1
InChIKeyNVMOBBCPDRYXDX-YFKPBYRVSA-O
XLogP1.15
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 51.15
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

(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
(1R,2S)-1-(6-bromo-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 131122744
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
CID 130835904
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
(1S)-1-(6-bromo-2-pyridinyl)propan-1-ol
CID 124585075
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171289028
1-(6-bromo-2-pyridinyl)pentan-1-ol
CID 58629907
2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane
CID 142619227
methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate
CID 129394725
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium?
The IUPAC name of [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium (CID 140601962) is [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium?
The canonical SMILES for [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium is C[C@H]([NH3+])c1cccc(Br)n1.
What is the InChIKey of [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium?
The InChIKey is NVMOBBCPDRYXDX-YFKPBYRVSA-O. The full InChI is InChI=1S/C7H9BrN2/c1-5(9)6-3-2-4-7(8)10-6/h2-5H,9H2,1H3/p+1/t5-/m0/s1.
What are the key properties of [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium?
[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium has a molecular weight of 202.08 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium is sourced from PubChem (CID 140601962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).