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

C11H16BrNO — CID 104813158

IUPAC2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1cncc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)10(7-14)3-9-4-11(12)6-13-5-9/h4-6,8,10,14H,3,7H2,1-2H3
InChIKeyHQKWLUMOKDIVKA-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.65
Rot. Bonds4

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

2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol (PubChem CID 104813158) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
PubChem CID104813158
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1cncc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)10(7-14)3-9-4-11(12)6-13-5-9/h4-6,8,10,14H,3,7H2,1-2H3
InChIKeyHQKWLUMOKDIVKA-UHFFFAOYSA-N
XLogP2.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
CID 104809934
1-(5-bromo-3-pyridinyl)-3-methylsulfonylbutan-2-ol
CID 115833451
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713811

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol (CID 104813158) is 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol is CC(C)C(CO)Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol?
The InChIKey is HQKWLUMOKDIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)10(7-14)3-9-4-11(12)6-13-5-9/h4-6,8,10,14H,3,7H2,1-2H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol?
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.65, 4 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]-3-methylbutan-1-ol is sourced from PubChem (CID 104813158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).