3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine

C8H6Cl3F3N2 — CID 102751075

IUPAC3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3F3N2/c9-4-3-5(10)7(16-6(4)11)15-2-1-8(12,13)14/h3H,1-2H2,(H,15,16)
InChIKeyIJWLEGSTDSCQQD-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.41
Rot. Bonds3

About 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine

3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine (PubChem CID 102751075) has the molecular formula C8H6Cl3F3N2 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
PubChem CID102751075
Molecular FormulaC8H6Cl3F3N2
Molecular Weight293.50 g/mol
Exact Mass291.95
IUPAC Name3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3F3N2/c9-4-3-5(10)7(16-6(4)11)15-2-1-8(12,13)14/h3H,1-2H2,(H,15,16)
InChIKeyIJWLEGSTDSCQQD-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.41
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 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine (CID 102751075) is 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine is FC(F)(F)CCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The InChIKey is IJWLEGSTDSCQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3F3N2/c9-4-3-5(10)7(16-6(4)11)15-2-1-8(12,13)14/h3H,1-2H2,(H,15,16).
What are the key properties of 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(3,3,3-trifluoropropyl)pyridin-2-amine is sourced from PubChem (CID 102751075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).