4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol

C15H24BrNO — CID 114865142

IUPAC4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1ccc(Br)cn1)CC(C)C
InChIInChI=1S/C15H24BrNO/c1-11(2)7-15(18,8-12(3)4)9-14-6-5-13(16)10-17-14/h5-6,10-12,18H,7-9H2,1-4H3
InChIKeyPIUIWEMCPWHYTK-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.21
Rot. Bonds6

About 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol

4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol (PubChem CID 114865142) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol
PubChem CID114865142
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1ccc(Br)cn1)CC(C)C
InChIInChI=1S/C15H24BrNO/c1-11(2)7-15(18,8-12(3)4)9-14-6-5-13(16)10-17-14/h5-6,10-12,18H,7-9H2,1-4H3
InChIKeyPIUIWEMCPWHYTK-UHFFFAOYSA-N
XLogP4.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
2-[(5-bromo-2-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800667
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol
CID 113454857
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832657
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
5-bromo-2-(3-methylbutylsulfanylmethyl)pyridine
CID 103931443
5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
CID 104809745
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 104810948

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol (CID 114865142) is 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol is CC(C)CC(O)(Cc1ccc(Br)cn1)CC(C)C.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol?
The InChIKey is PIUIWEMCPWHYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-11(2)7-15(18,8-12(3)4)9-14-6-5-13(16)10-17-14/h5-6,10-12,18H,7-9H2,1-4H3.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol?
4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol has a molecular weight of 314.27 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).