N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine

C9H9F4N3O — CID 3594032

IUPACN-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine
SMILESFc1nc(F)c(F)c(NN2CCOCC2)c1F
InChIInChI=1S/C9H9F4N3O/c10-5-7(6(11)9(13)14-8(5)12)15-16-1-3-17-4-2-16/h1-4H2,(H,14,15)
InChIKeyDMBCMKZYYGWVFR-UHFFFAOYSA-N
MW251.18 g/mol
LogP1.30
Rot. Bonds2

About N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine

N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine (PubChem CID 3594032) has the molecular formula C9H9F4N3O and a molecular weight of 251.18 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine
PubChem CID3594032
Molecular FormulaC9H9F4N3O
Molecular Weight251.18 g/mol
Exact Mass251.07
IUPAC NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine
SMILESFc1nc(F)c(F)c(NN2CCOCC2)c1F
InChIInChI=1S/C9H9F4N3O/c10-5-7(6(11)9(13)14-8(5)12)15-16-1-3-17-4-2-16/h1-4H2,(H,14,15)
InChIKeyDMBCMKZYYGWVFR-UHFFFAOYSA-N
XLogP1.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine?
The IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine (CID 3594032) is N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine.
What is the SMILES notation for N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine?
The canonical SMILES for N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine is Fc1nc(F)c(F)c(NN2CCOCC2)c1F.
What is the InChIKey of N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine?
The InChIKey is DMBCMKZYYGWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N3O/c10-5-7(6(11)9(13)14-8(5)12)15-16-1-3-17-4-2-16/h1-4H2,(H,14,15).
What are the key properties of N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine?
N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine has a molecular weight of 251.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholin-4-amine is sourced from PubChem (CID 3594032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).