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

C11H16BrNO — CID 107892788

IUPAC1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO/c1-3-4-8(2)11(14)10-6-5-9(12)7-13-10/h5-8,11,14H,3-4H2,1-2H3
InChIKeyQGFUMGFJEREOPK-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.31
Rot. Bonds4

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

1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol (PubChem CID 107892788) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
PubChem CID107892788
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO/c1-3-4-8(2)11(14)10-6-5-9(12)7-13-10/h5-8,11,14H,3-4H2,1-2H3
InChIKeyQGFUMGFJEREOPK-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 42614288
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1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
1-(5-bromo-2-pyridinyl)-4-ethylsulfonylbutan-1-ol
CID 113393969
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
CID 89251860
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine
CID 124640267
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol (CID 107892788) is 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol?
The InChIKey is QGFUMGFJEREOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-4-8(2)11(14)10-6-5-9(12)7-13-10/h5-8,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol?
1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol is sourced from PubChem (CID 107892788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).