2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H14F5N3 — CID 159348275

IUPAC2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESC.Fc1cccnc1F.NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2.C5H3F2N.CH4/c8-7(9,10)6-2-1-5(3-11)4-12-6;6-4-2-1-3-8-5(4)7;/h1-2,4H,3,11H2;1-3H;1H4
InChIKeyLGZSOAKRQZICKH-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.56
Rot. Bonds1

About 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine

2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 159348275) has the molecular formula C13H14F5N3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID159348275
Molecular FormulaC13H14F5N3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESC.Fc1cccnc1F.NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2.C5H3F2N.CH4/c8-7(9,10)6-2-1-5(3-11)4-12-6;6-4-2-1-3-8-5(4)7;/h1-2,4H,3,11H2;1-3H;1H4
InChIKeyLGZSOAKRQZICKH-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.56
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-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 159348275) is 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine is C.Fc1cccnc1F.NCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is LGZSOAKRQZICKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.C5H3F2N.CH4/c8-7(9,10)6-2-1-5(3-11)4-12-6;6-4-2-1-3-8-5(4)7;/h1-2,4H,3,11H2;1-3H;1H4.
What are the key properties of 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 307.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 159348275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).