1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol

C12H18BrNO2 — CID 103028415

IUPAC1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-12(2,16-3)5-4-11(15)9-6-10(13)8-14-7-9/h6-8,11,15H,4-5H2,1-3H3
InChIKeyGJPQFRNXRMHWGU-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.08
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol

1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028415) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028415
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-12(2,16-3)5-4-11(15)9-6-10(13)8-14-7-9/h6-8,11,15H,4-5H2,1-3H3
InChIKeyGJPQFRNXRMHWGU-UHFFFAOYSA-N
XLogP3.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
CID 82919855
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
CID 103028152
(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
CID 99598967
1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
CID 107978288

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol (CID 103028415) is 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is GJPQFRNXRMHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-12(2,16-3)5-4-11(15)9-6-10(13)8-14-7-9/h6-8,11,15H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol?
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).