2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol

C11H15BrN2O — CID 106876373

IUPAC2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nccc(C)c1Br
InChIInChI=1S/C11H15BrN2O/c1-3-6-14(7-8-15)11-10(12)9(2)4-5-13-11/h3-5,15H,1,6-8H2,2H3
InChIKeyNBPYVJXRQDKIFQ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.14
Rot. Bonds5

About 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol

2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol (PubChem CID 106876373) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
PubChem CID106876373
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nccc(C)c1Br
InChIInChI=1S/C11H15BrN2O/c1-3-6-14(7-8-15)11-10(12)9(2)4-5-13-11/h3-5,15H,1,6-8H2,2H3
InChIKeyNBPYVJXRQDKIFQ-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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Related Compounds

3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
2-[(5-bromopyrimidin-4-yl)-prop-2-enylamino]ethanol
CID 115715080
2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
CID 105390415
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-prop-2-enylamino]ethanol
CID 115744712
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
CID 106541610
3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
CID 106879048
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 106876362
3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489338

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol (CID 106876373) is 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol is C=CCN(CCO)c1nccc(C)c1Br.
What is the InChIKey of 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
The InChIKey is NBPYVJXRQDKIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-6-14(7-8-15)11-10(12)9(2)4-5-13-11/h3-5,15H,1,6-8H2,2H3.
What are the key properties of 2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol?
2-[(3-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-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 106876373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).