5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol

C11H17BrN2O — CID 106129032

IUPAC5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
SMILESCc1ccnc(NCCCC(C)O)c1Br
InChIInChI=1S/C11H17BrN2O/c1-8-5-7-14-11(10(8)12)13-6-3-4-9(2)15/h5,7,9,15H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJLRWRDDIMGZCMT-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.73
Rot. Bonds5

About 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol

5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol (PubChem CID 106129032) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
PubChem CID106129032
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
SMILESCc1ccnc(NCCCC(C)O)c1Br
InChIInChI=1S/C11H17BrN2O/c1-8-5-7-14-11(10(8)12)13-6-3-4-9(2)15/h5,7,9,15H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJLRWRDDIMGZCMT-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
methyl 6-[(3-bromo-4-methyl-2-pyridinyl)amino]hexanoate
CID 106878486
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138742
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
1-N-(3-bromo-4-methyl-2-pyridinyl)-4-methoxybutane-1,3-diamine
CID 106244122
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol (CID 106129032) is 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol is Cc1ccnc(NCCCC(C)O)c1Br.
What is the InChIKey of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is JLRWRDDIMGZCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8-5-7-14-11(10(8)12)13-6-3-4-9(2)15/h5,7,9,15H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol?
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 106129032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).