1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol

C11H16BrNO — CID 104810070

IUPAC1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO/c1-3-11(14)8(2)6-10-5-4-9(12)7-13-10/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyMIGZRYUQOPSQQR-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.79
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol

1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol (PubChem CID 104810070) 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-3-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
PubChem CID104810070
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO/c1-3-11(14)8(2)6-10-5-4-9(12)7-13-10/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyMIGZRYUQOPSQQR-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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)-4-methyl-3-phenylhexan-2-ol
CID 115833121
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol (CID 104810070) is 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol is CCC(O)C(C)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol?
The InChIKey is MIGZRYUQOPSQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-11(14)8(2)6-10-5-4-9(12)7-13-10/h4-5,7-8,11,14H,3,6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol?
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol has a molecular weight of 258.16 g/mol, XLogP of 2.79, 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-3-ol is sourced from PubChem (CID 104810070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).