5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile

C10H12FN3O — CID 66672506

IUPAC5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
SMILESCC(C)(O)CNc1cc(F)cnc1C#N
InChIInChI=1S/C10H12FN3O/c1-10(2,15)6-14-8-3-7(11)5-13-9(8)4-12/h3,5,14-15H,6H2,1-2H3
InChIKeyOQTMUBCOODPPII-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.28
Rot. Bonds3

About 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile

5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile (PubChem CID 66672506) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
PubChem CID66672506
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
SMILESCC(C)(O)CNc1cc(F)cnc1C#N
InChIInChI=1S/C10H12FN3O/c1-10(2,15)6-14-8-3-7(11)5-13-9(8)4-12/h3,5,14-15H,6H2,1-2H3
InChIKeyOQTMUBCOODPPII-UHFFFAOYSA-N
XLogP1.28
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile (CID 66672506) is 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile is CC(C)(O)CNc1cc(F)cnc1C#N.
What is the InChIKey of 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The InChIKey is OQTMUBCOODPPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-10(2,15)6-14-8-3-7(11)5-13-9(8)4-12/h3,5,14-15H,6H2,1-2H3.
What are the key properties of 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile has a molecular weight of 209.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 66672506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).