2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane

C9H15BrN2O — CID 91577446

IUPAC2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane
SMILESCC.OCCNc1ccc(Br)cn1
InChIInChI=1S/C7H9BrN2O.C2H6/c8-6-1-2-7(10-5-6)9-3-4-11;1-2/h1-2,5,11H,3-4H2,(H,9,10);1-2H3
InChIKeyBYCIEVKTPKGXMR-UHFFFAOYSA-N
MW247.14 g/mol
LogP2.27
Rot. Bonds3

About 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane

2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane (PubChem CID 91577446) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane
PubChem CID91577446
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane
SMILESCC.OCCNc1ccc(Br)cn1
InChIInChI=1S/C7H9BrN2O.C2H6/c8-6-1-2-7(10-5-6)9-3-4-11;1-2/h1-2,5,11H,3-4H2,(H,9,10);1-2H3
InChIKeyBYCIEVKTPKGXMR-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-bromopyridine
CID 70622
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
[[(5-Bromo-2-pyridyl)amino]-phosphono-methyl]phosphonic acid
CID 405381
2-Allylaminopyridine
CID 260916
2-Acetamido-5-bromopyridine
CID 293097
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
1-(2-Methoxyethyl)-3-pyridin-2-ylthiourea
CID 1854097
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
1-(5-Bromo-2-pyridyl)-3-(2-morpholinoethyl)thiourea
CID 3001930

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane (CID 91577446) is 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane is CC.OCCNc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane?
The InChIKey is BYCIEVKTPKGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O.C2H6/c8-6-1-2-7(10-5-6)9-3-4-11;1-2/h1-2,5,11H,3-4H2,(H,9,10);1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane?
2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane has a molecular weight of 247.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)amino]ethanol;ethane is sourced from PubChem (CID 91577446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).