2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol

C12H18BrNO — CID 104813142

IUPAC2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Cc1cncc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-12(4-2,9-15)6-10-5-11(13)8-14-7-10/h5,7-8,15H,3-4,6,9H2,1-2H3
InChIKeyCJPTWLHHZUXJHQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.19
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol

2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol (PubChem CID 104813142) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
PubChem CID104813142
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Cc1cncc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-12(4-2,9-15)6-10-5-11(13)8-14-7-10/h5,7-8,15H,3-4,6,9H2,1-2H3
InChIKeyCJPTWLHHZUXJHQ-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 104810652
2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
CID 113455824
3-[2,2-bis(bromomethyl)pentyl]-5-bromopyridine
CID 104813519
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669
1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol
CID 104802643
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 150728794

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol (CID 104813142) is 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol?
The InChIKey is CJPTWLHHZUXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-12(4-2,9-15)6-10-5-11(13)8-14-7-10/h5,7-8,15H,3-4,6,9H2,1-2H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol?
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 104813142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).