1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol

C10H15FN2O — CID 79386016

IUPAC1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cccc(F)n1
InChIInChI=1S/C10H15FN2O/c1-10(2,14)7-13(3)9-6-4-5-8(11)12-9/h4-6,14H,7H2,1-3H3
InChIKeyZSOYDXBZMWIVCW-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.43
Rot. Bonds3

About 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol

1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79386016) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
PubChem CID79386016
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cccc(F)n1
InChIInChI=1S/C10H15FN2O/c1-10(2,14)7-13(3)9-6-4-5-8(11)12-9/h4-6,14H,7H2,1-3H3
InChIKeyZSOYDXBZMWIVCW-UHFFFAOYSA-N
XLogP1.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol (CID 79386016) is 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1cccc(F)n1.
What is the InChIKey of 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is ZSOYDXBZMWIVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(2,14)7-13(3)9-6-4-5-8(11)12-9/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79386016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).