1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

C11H17FN2O2 — CID 106257281

IUPAC1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccnc(F)c1
InChIInChI=1S/C11H17FN2O2/c1-11(15,4-6-16-2)8-14-9-3-5-13-10(12)7-9/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyICTBVLANUFRORS-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.42
Rot. Bonds6

About 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106257281) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106257281
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccnc(F)c1
InChIInChI=1S/C11H17FN2O2/c1-11(15,4-6-16-2)8-14-9-3-5-13-10(12)7-9/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyICTBVLANUFRORS-UHFFFAOYSA-N
XLogP1.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106257281) is 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ccnc(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is ICTBVLANUFRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-11(15,4-6-16-2)8-14-9-3-5-13-10(12)7-9/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106257281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).