5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

C9H10F4N2O — CID 66280887

IUPAC5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESCc1cnc(OCC(F)(F)C(F)F)c(N)c1
InChIInChI=1S/C9H10F4N2O/c1-5-2-6(14)7(15-3-5)16-4-9(12,13)8(10)11/h2-3,8H,4,14H2,1H3
InChIKeyKWLGKDKAXLHXOG-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.25
Rot. Bonds4

About 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (PubChem CID 66280887) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
PubChem CID66280887
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESCc1cnc(OCC(F)(F)C(F)F)c(N)c1
InChIInChI=1S/C9H10F4N2O/c1-5-2-6(14)7(15-3-5)16-4-9(12,13)8(10)11/h2-3,8H,4,14H2,1H3
InChIKeyKWLGKDKAXLHXOG-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The IUPAC name of 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (CID 66280887) is 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.
What is the SMILES notation for 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The canonical SMILES for 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is Cc1cnc(OCC(F)(F)C(F)F)c(N)c1.
What is the InChIKey of 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The InChIKey is KWLGKDKAXLHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O/c1-5-2-6(14)7(15-3-5)16-4-9(12,13)8(10)11/h2-3,8H,4,14H2,1H3.
What are the key properties of 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine has a molecular weight of 238.18 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is sourced from PubChem (CID 66280887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).