3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol

C10H15BrN2O — CID 115361912

IUPAC3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O/c1-10(2,7-14)6-12-9-5-3-4-8(11)13-9/h3-5,14H,6-7H2,1-2H3,(H,12,13)
InChIKeyKDAKPXGAGPKWHL-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.27
Rot. Bonds4

About 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol

3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115361912) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115361912
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O/c1-10(2,7-14)6-12-9-5-3-4-8(11)13-9/h3-5,14H,6-7H2,1-2H3,(H,12,13)
InChIKeyKDAKPXGAGPKWHL-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol (CID 115361912) is 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1cccc(Br)n1.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is KDAKPXGAGPKWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-10(2,7-14)6-12-9-5-3-4-8(11)13-9/h3-5,14H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115361912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).