1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol

C11H17BrN2O — CID 107154989

IUPAC1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cccc(Br)n1
InChIInChI=1S/C11H17BrN2O/c1-8(2)6-9(15)7-13-11-5-3-4-10(12)14-11/h3-5,8-9,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyPXCJCKZGZRXOSZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.66
Rot. Bonds5

About 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol

1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol (PubChem CID 107154989) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
PubChem CID107154989
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cccc(Br)n1
InChIInChI=1S/C11H17BrN2O/c1-8(2)6-9(15)7-13-11-5-3-4-10(12)14-11/h3-5,8-9,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyPXCJCKZGZRXOSZ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(6-hydrazinyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107159891
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
1-[(4-bromo-1,3-thiazol-2-yl)amino]-4-methylpentan-2-ol
CID 107153326
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115361912
3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol
CID 130878127
4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol
CID 90705968
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107153298
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
2-bromo-6-[(2-hydroxy-4-methylpentyl)amino]benzonitrile
CID 107153383
1-[[6-(methylamino)-2-pyridinyl]amino]propan-2-ol
CID 80780222

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol (CID 107154989) is 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1cccc(Br)n1.
What is the InChIKey of 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol?
The InChIKey is PXCJCKZGZRXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)6-9(15)7-13-11-5-3-4-10(12)14-11/h3-5,8-9,15H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol?
1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107154989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).