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

C11H6F4N2 — CID 15470461

IUPAC2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2ccccc2)c1F
InChIInChI=1S/C11H6F4N2/c12-7-9(8(13)11(15)17-10(7)14)16-6-4-2-1-3-5-6/h1-5H,(H,16,17)
InChIKeyNSCVDHBQSVZYOX-UHFFFAOYSA-N
MW242.18 g/mol
LogP3.38
Rot. Bonds2

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

2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine (PubChem CID 15470461) has the molecular formula C11H6F4N2 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine
PubChem CID15470461
Molecular FormulaC11H6F4N2
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2ccccc2)c1F
InChIInChI=1S/C11H6F4N2/c12-7-9(8(13)11(15)17-10(7)14)16-6-4-2-1-3-5-6/h1-5H,(H,16,17)
InChIKeyNSCVDHBQSVZYOX-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 53.38
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-phenylpyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine (CID 15470461) is 2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine is Fc1nc(F)c(F)c(Nc2ccccc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine?
The InChIKey is NSCVDHBQSVZYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2/c12-7-9(8(13)11(15)17-10(7)14)16-6-4-2-1-3-5-6/h1-5H,(H,16,17).
What are the key properties of 2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine?
2,3,5,6-tetrafluoro-N-phenylpyridin-4-amine has a molecular weight of 242.18 g/mol, XLogP of 3.38, 2 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-phenylpyridin-4-amine is sourced from PubChem (CID 15470461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).