1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite

C7H9BrN2O3S — CID 174644135

IUPAC1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite
SMILESCC(OS(=O)O)c1cc(Br)cnc1N
InChIInChI=1S/C7H9BrN2O3S/c1-4(13-14(11)12)6-2-5(8)3-10-7(6)9/h2-4H,1H3,(H2,9,10)(H,11,12)
InChIKeyRWCMHNNRFCBSGD-UHFFFAOYSA-N
MW281.13 g/mol
LogP1.64
Rot. Bonds3

About 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite

1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite (PubChem CID 174644135) has the molecular formula C7H9BrN2O3S and a molecular weight of 281.13 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite.

Molecular Properties

Compound Name1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite
PubChem CID174644135
Molecular FormulaC7H9BrN2O3S
Molecular Weight281.13 g/mol
Exact Mass279.95
IUPAC Name1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite
SMILESCC(OS(=O)O)c1cc(Br)cnc1N
InChIInChI=1S/C7H9BrN2O3S/c1-4(13-14(11)12)6-2-5(8)3-10-7(6)9/h2-4H,1H3,(H2,9,10)(H,11,12)
InChIKeyRWCMHNNRFCBSGD-UHFFFAOYSA-N
XLogP1.64
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide
CID 91450779
3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
CID 170829105
3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 84705565
(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 130664394
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
5-bromopyridine-2,3-diamine;ethane
CID 90880932
3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid
CID 84709726
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
CID 123369518
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite?
The IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite (CID 174644135) is 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite.
What is the SMILES notation for 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite?
The canonical SMILES for 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite is CC(OS(=O)O)c1cc(Br)cnc1N.
What is the InChIKey of 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite?
The InChIKey is RWCMHNNRFCBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3S/c1-4(13-14(11)12)6-2-5(8)3-10-7(6)9/h2-4H,1H3,(H2,9,10)(H,11,12).
What are the key properties of 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite?
1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite has a molecular weight of 281.13 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite is sourced from PubChem (CID 174644135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).