2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol

C13H13BrN2O — CID 63183272

IUPAC2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol
SMILESOCC(Nc1ncccc1Br)c1ccccc1
InChIInChI=1S/C13H13BrN2O/c14-11-7-4-8-15-13(11)16-12(9-17)10-5-2-1-3-6-10/h1-8,12,17H,9H2,(H,15,16)
InChIKeyZLCJCQREYHRZAZ-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.99
Rot. Bonds4

About 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol

2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol (PubChem CID 63183272) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol
PubChem CID63183272
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol
SMILESOCC(Nc1ncccc1Br)c1ccccc1
InChIInChI=1S/C13H13BrN2O/c14-11-7-4-8-15-13(11)16-12(9-17)10-5-2-1-3-6-10/h1-8,12,17H,9H2,(H,15,16)
InChIKeyZLCJCQREYHRZAZ-UHFFFAOYSA-N
XLogP2.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol (CID 63183272) is 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol is OCC(Nc1ncccc1Br)c1ccccc1.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol?
The InChIKey is ZLCJCQREYHRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-7-4-8-15-13(11)16-12(9-17)10-5-2-1-3-6-10/h1-8,12,17H,9H2,(H,15,16).
What are the key properties of 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol?
2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol has a molecular weight of 293.16 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)amino]-2-phenylethanol is sourced from PubChem (CID 63183272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).