3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

C11H17BrN2O — CID 106185813

IUPAC3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ncccc1Br
InChIInChI=1S/C11H17BrN2O/c1-10(2,11(3,4)15)14-9-8(12)6-5-7-13-9/h5-7,15H,1-4H3,(H,13,14)
InChIKeyIDINLVVFPAGYPX-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.81
Rot. Bonds3

About 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106185813) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106185813
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ncccc1Br
InChIInChI=1S/C11H17BrN2O/c1-10(2,11(3,4)15)14-9-8(12)6-5-7-13-9/h5-7,15H,1-4H3,(H,13,14)
InChIKeyIDINLVVFPAGYPX-UHFFFAOYSA-N
XLogP2.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185235
3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
CID 130951973
2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308213
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol
CID 106186000
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144661
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185086
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192330
3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191508
2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811031

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (CID 106185813) is 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1ncccc1Br.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is IDINLVVFPAGYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-10(2,11(3,4)15)14-9-8(12)6-5-7-13-9/h5-7,15H,1-4H3,(H,13,14).
What are the key properties of 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).