2,3,5,6-tetrafluoro-N-methylpyridin-4-amine

C6H4F4N2 — CID 79007034

IUPAC2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
SMILESCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C6H4F4N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12)
InChIKeyXXVKPBPMLKVSRN-UHFFFAOYSA-N
MW180.10 g/mol
LogP1.68
Rot. Bonds1

About 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine

2,3,5,6-tetrafluoro-N-methylpyridin-4-amine (PubChem CID 79007034) has the molecular formula C6H4F4N2 and a molecular weight of 180.10 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
PubChem CID79007034
Molecular FormulaC6H4F4N2
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Name2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
SMILESCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C6H4F4N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12)
InChIKeyXXVKPBPMLKVSRN-UHFFFAOYSA-N
XLogP1.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylpyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine (CID 79007034) is 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine is CNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine?
The InChIKey is XXVKPBPMLKVSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12).
What are the key properties of 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine?
2,3,5,6-tetrafluoro-N-methylpyridin-4-amine has a molecular weight of 180.10 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-methylpyridin-4-amine is sourced from PubChem (CID 79007034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).