1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol

C12H18BrNO2 — CID 105126245

IUPAC1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
SMILESCOCC(C)CC(O)Cc1ccc(Br)cn1
InChIInChI=1S/C12H18BrNO2/c1-9(8-16-2)5-12(15)6-11-4-3-10(13)7-14-11/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyNPMKLOINNRBIEX-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.42
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol

1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol (PubChem CID 105126245) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
PubChem CID105126245
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
SMILESCOCC(C)CC(O)Cc1ccc(Br)cn1
InChIInChI=1S/C12H18BrNO2/c1-9(8-16-2)5-12(15)6-11-4-3-10(13)7-14-11/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyNPMKLOINNRBIEX-UHFFFAOYSA-N
XLogP2.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one
CID 105128793
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126126
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
1-(5-fluoro-2-pyridinyl)-3-methoxypropan-2-ol
CID 63200549
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol (CID 105126245) is 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol is COCC(C)CC(O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol?
The InChIKey is NPMKLOINNRBIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(8-16-2)5-12(15)6-11-4-3-10(13)7-14-11/h3-4,7,9,12,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol?
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol has a molecular weight of 288.19 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 105126245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).