6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine

C9H11F3N2O2 — CID 115321163

IUPAC6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
SMILESCOc1ccc(N)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c1-5(9(10,11)12)16-8-6(13)3-4-7(14-8)15-2/h3-5H,13H2,1-2H3
InChIKeyLISVQJCXGZATHH-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.00
Rot. Bonds3

About 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine

6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine (PubChem CID 115321163) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
PubChem CID115321163
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
SMILESCOc1ccc(N)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c1-5(9(10,11)12)16-8-6(13)3-4-7(14-8)15-2/h3-5H,13H2,1-2H3
InChIKeyLISVQJCXGZATHH-UHFFFAOYSA-N
XLogP2.00
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
The IUPAC name of 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine (CID 115321163) is 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
The canonical SMILES for 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine is COc1ccc(N)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
The InChIKey is LISVQJCXGZATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5(9(10,11)12)16-8-6(13)3-4-7(14-8)15-2/h3-5H,13H2,1-2H3.
What are the key properties of 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine has a molecular weight of 236.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine is sourced from PubChem (CID 115321163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).