6-fluoro-5-(trifluoromethyl)pyridin-3-amine

C6H4F4N2 — CID 130775197

IUPAC6-fluoro-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(F)c(C(F)(F)F)c1
InChIInChI=1S/C6H4F4N2/c7-5-4(6(8,9)10)1-3(11)2-12-5/h1-2H,11H2
InChIKeyMVAUSCCFURGPSN-UHFFFAOYSA-N
MW180.10 g/mol
LogP1.82
Rot. Bonds

About 6-fluoro-5-(trifluoromethyl)pyridin-3-amine

6-fluoro-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 130775197) has the molecular formula C6H4F4N2 and a molecular weight of 180.10 g/mol. Its IUPAC name is 6-fluoro-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-5-(trifluoromethyl)pyridin-3-amine
PubChem CID130775197
Molecular FormulaC6H4F4N2
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Name6-fluoro-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(F)c(C(F)(F)F)c1
InChIInChI=1S/C6H4F4N2/c7-5-4(6(8,9)10)1-3(11)2-12-5/h1-2H,11H2
InChIKeyMVAUSCCFURGPSN-UHFFFAOYSA-N
XLogP1.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 51.82
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 6-fluoro-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-fluoro-5-(trifluoromethyl)pyridin-3-amine (CID 130775197) is 6-fluoro-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-5-(trifluoromethyl)pyridin-3-amine is Nc1cnc(F)c(C(F)(F)F)c1.
What is the InChIKey of 6-fluoro-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is MVAUSCCFURGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2/c7-5-4(6(8,9)10)1-3(11)2-12-5/h1-2H,11H2.
What are the key properties of 6-fluoro-5-(trifluoromethyl)pyridin-3-amine?
6-fluoro-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 180.10 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130775197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).