4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol

C11H17BrN2O — CID 106144661

IUPAC4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1ncccc1Br
InChIInChI=1S/C11H17BrN2O/c1-11(2,5-7-15)8-14-10-9(12)4-3-6-13-10/h3-4,6,15H,5,7-8H2,1-2H3,(H,13,14)
InChIKeyHHVDMCWSFRRGTO-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.66
Rot. Bonds5

About 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol

4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106144661) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106144661
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1ncccc1Br
InChIInChI=1S/C11H17BrN2O/c1-11(2,5-7-15)8-14-10-9(12)4-3-6-13-10/h3-4,6,15H,5,7-8H2,1-2H3,(H,13,14)
InChIKeyHHVDMCWSFRRGTO-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol (CID 106144661) is 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1ncccc1Br.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is HHVDMCWSFRRGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-11(2,5-7-15)8-14-10-9(12)4-3-6-13-10/h3-4,6,15H,5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-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 4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106144661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).