5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine

C11H17FN2 — CID 164837315

IUPAC5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine
SMILESCC(C)c1cc(F)c(C(C)C)nc1N
InChIInChI=1S/C11H17FN2/c1-6(2)8-5-9(12)10(7(3)4)14-11(8)13/h5-7H,1-4H3,(H2,13,14)
InChIKeyCQHMYBUOBPFPLI-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.05
Rot. Bonds2

About 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine

5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine (PubChem CID 164837315) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine
PubChem CID164837315
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine
SMILESCC(C)c1cc(F)c(C(C)C)nc1N
InChIInChI=1S/C11H17FN2/c1-6(2)8-5-9(12)10(7(3)4)14-11(8)13/h5-7H,1-4H3,(H2,13,14)
InChIKeyCQHMYBUOBPFPLI-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine?
The IUPAC name of 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine (CID 164837315) is 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine is CC(C)c1cc(F)c(C(C)C)nc1N.
What is the InChIKey of 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine?
The InChIKey is CQHMYBUOBPFPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-6(2)8-5-9(12)10(7(3)4)14-11(8)13/h5-7H,1-4H3,(H2,13,14).
What are the key properties of 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine?
5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine has a molecular weight of 196.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine is sourced from PubChem (CID 164837315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).