2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol

C7H8BrFN2O — CID 68812711

IUPAC2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol
SMILESOCCNc1ncc(Br)cc1F
InChIInChI=1S/C7H8BrFN2O/c8-5-3-6(9)7(11-4-5)10-1-2-12/h3-4,12H,1-2H2,(H,10,11)
InChIKeyRWHPGEIACHAZPV-UHFFFAOYSA-N
MW235.06 g/mol
LogP1.39
Rot. Bonds3

About 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol

2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol (PubChem CID 68812711) has the molecular formula C7H8BrFN2O and a molecular weight of 235.06 g/mol. Its IUPAC name is 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol
PubChem CID68812711
Molecular FormulaC7H8BrFN2O
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol
SMILESOCCNc1ncc(Br)cc1F
InChIInChI=1S/C7H8BrFN2O/c8-5-3-6(9)7(11-4-5)10-1-2-12/h3-4,12H,1-2H2,(H,10,11)
InChIKeyRWHPGEIACHAZPV-UHFFFAOYSA-N
XLogP1.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol (CID 68812711) is 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol is OCCNc1ncc(Br)cc1F.
What is the InChIKey of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol?
The InChIKey is RWHPGEIACHAZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2O/c8-5-3-6(9)7(11-4-5)10-1-2-12/h3-4,12H,1-2H2,(H,10,11).
What are the key properties of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol?
2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol has a molecular weight of 235.06 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 68812711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).