2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine

C13H16F4N2O — CID 102559514

IUPAC2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine
SMILESCOC1CCCCCC1Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H16F4N2O/c1-20-8-6-4-2-3-5-7(8)18-11-9(14)12(16)19-13(17)10(11)15/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyUTOPCVYIKBLSCL-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.40
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine

2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine (PubChem CID 102559514) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine
PubChem CID102559514
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine
SMILESCOC1CCCCCC1Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H16F4N2O/c1-20-8-6-4-2-3-5-7(8)18-11-9(14)12(16)19-13(17)10(11)15/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyUTOPCVYIKBLSCL-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine (CID 102559514) is 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine is COC1CCCCCC1Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine?
The InChIKey is UTOPCVYIKBLSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-20-8-6-4-2-3-5-7(8)18-11-9(14)12(16)19-13(17)10(11)15/h7-8H,2-6H2,1H3,(H,18,19).
What are the key properties of 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine?
2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine has a molecular weight of 292.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine is sourced from PubChem (CID 102559514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).