4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol

C11H17BrN2O2 — CID 103876253

IUPAC4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O2/c1-16-8-11(15)4-5-13-7-10-3-2-9(12)6-14-10/h2-3,6,11,13,15H,4-5,7-8H2,1H3
InChIKeyCXZIQTONJJGWOE-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.33
Rot. Bonds7

About 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol

4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol (PubChem CID 103876253) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
PubChem CID103876253
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O2/c1-16-8-11(15)4-5-13-7-10-3-2-9(12)6-14-10/h2-3,6,11,13,15H,4-5,7-8H2,1H3
InChIKeyCXZIQTONJJGWOE-UHFFFAOYSA-N
XLogP1.33
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
6-[[(2-hydroxy-3-methoxypropyl)amino]methyl]pyridin-3-ol
CID 79794461
6-[(5-bromo-2-pyridinyl)methylamino]-4-methylhexanoic acid
CID 104800428
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
4-[(3-bromo-4-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876406
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
CID 107320331
1-methoxy-4-[(2,4,5-trifluorophenyl)methylamino]butan-2-ol
CID 103876226
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
CID 106246462

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol (CID 103876253) is 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol is COCC(O)CCNCc1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol?
The InChIKey is CXZIQTONJJGWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-16-8-11(15)4-5-13-7-10-3-2-9(12)6-14-10/h2-3,6,11,13,15H,4-5,7-8H2,1H3.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol?
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol has a molecular weight of 289.17 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103876253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).