2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine

C15H12F5N3 — CID 133371577

IUPAC2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine
SMILESFc1cc(Nc2c(F)c(F)nc(F)c2F)ccc1N1CCCC1
InChIInChI=1S/C15H12F5N3/c16-9-7-8(3-4-10(9)23-5-1-2-6-23)21-13-11(17)14(19)22-15(20)12(13)18/h3-4,7H,1-2,5-6H2,(H,21,22)
InChIKeyNKSUHBQDRCPSGS-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.12
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine

2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine (PubChem CID 133371577) has the molecular formula C15H12F5N3 and a molecular weight of 329.27 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine
PubChem CID133371577
Molecular FormulaC15H12F5N3
Molecular Weight329.27 g/mol
Exact Mass329.10
IUPAC Name2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine
SMILESFc1cc(Nc2c(F)c(F)nc(F)c2F)ccc1N1CCCC1
InChIInChI=1S/C15H12F5N3/c16-9-7-8(3-4-10(9)23-5-1-2-6-23)21-13-11(17)14(19)22-15(20)12(13)18/h3-4,7H,1-2,5-6H2,(H,21,22)
InChIKeyNKSUHBQDRCPSGS-UHFFFAOYSA-N
XLogP4.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine (CID 133371577) is 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine is Fc1cc(Nc2c(F)c(F)nc(F)c2F)ccc1N1CCCC1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine?
The InChIKey is NKSUHBQDRCPSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N3/c16-9-7-8(3-4-10(9)23-5-1-2-6-23)21-13-11(17)14(19)22-15(20)12(13)18/h3-4,7H,1-2,5-6H2,(H,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine?
2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine has a molecular weight of 329.27 g/mol, XLogP of 4.12, 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-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 133371577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).