2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol

C11H15BrN2O — CID 75496488

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-3-4-14(5-6-15)11-7-9(2)10(12)8-13-11/h3,7-8,15H,1,4-6H2,2H3
InChIKeyRLJHLFMHUYGKFJ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.14
Rot. Bonds5

About 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol

2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol (PubChem CID 75496488) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
PubChem CID75496488
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-3-4-14(5-6-15)11-7-9(2)10(12)8-13-11/h3,7-8,15H,1,4-6H2,2H3
InChIKeyRLJHLFMHUYGKFJ-UHFFFAOYSA-N
XLogP2.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol (CID 75496488) is 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol is C=CCN(CCO)c1cc(C)c(Br)cn1.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
The InChIKey is RLJHLFMHUYGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-4-14(5-6-15)11-7-9(2)10(12)8-13-11/h3,7-8,15H,1,4-6H2,2H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol has a molecular weight of 271.16 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 75496488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).