3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine

C6H3F5N2 — CID 171649788

IUPAC3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C6H3F5N2/c7-3-1-2(6(9,10)11)4(8)13-5(3)12/h1H,(H2,12,13)
InChIKeyQXEFOCOILDPGEF-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.96
Rot. Bonds

About 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine

3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 171649788) has the molecular formula C6H3F5N2 and a molecular weight of 198.09 g/mol. Its IUPAC name is 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID171649788
Molecular FormulaC6H3F5N2
Molecular Weight198.09 g/mol
Exact Mass198.02
IUPAC Name3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C6H3F5N2/c7-3-1-2(6(9,10)11)4(8)13-5(3)12/h1H,(H2,12,13)
InChIKeyQXEFOCOILDPGEF-UHFFFAOYSA-N
XLogP1.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.96
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 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine (CID 171649788) is 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine is Nc1nc(F)c(C(F)(F)F)cc1F.
What is the InChIKey of 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QXEFOCOILDPGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2/c7-3-1-2(6(9,10)11)4(8)13-5(3)12/h1H,(H2,12,13).
What are the key properties of 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine?
3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 198.09 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 171649788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).