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

C10H10Cl3F3N2 — CID 102751645

IUPAC3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
SMILESFC(F)(F)CCCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3F3N2/c11-6-5-7(12)9(18-8(6)13)17-4-2-1-3-10(14,15)16/h5H,1-4H2,(H,17,18)
InChIKeyORMVFNPOXBEFBC-UHFFFAOYSA-N
MW321.56 g/mol
LogP5.19
Rot. Bonds5

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

3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine (PubChem CID 102751645) has the molecular formula C10H10Cl3F3N2 and a molecular weight of 321.56 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
PubChem CID102751645
Molecular FormulaC10H10Cl3F3N2
Molecular Weight321.56 g/mol
Exact Mass319.99
IUPAC Name3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
SMILESFC(F)(F)CCCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3F3N2/c11-6-5-7(12)9(18-8(6)13)17-4-2-1-3-10(14,15)16/h5H,1-4H2,(H,17,18)
InChIKeyORMVFNPOXBEFBC-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine (CID 102751645) is 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine is FC(F)(F)CCCCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
The InChIKey is ORMVFNPOXBEFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3F3N2/c11-6-5-7(12)9(18-8(6)13)17-4-2-1-3-10(14,15)16/h5H,1-4H2,(H,17,18).
What are the key properties of 3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
3,5,6-trichloro-N-(5,5,5-trifluoropentyl)pyridin-2-amine has a molecular weight of 321.56 g/mol, XLogP of 5.19, 5 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-(5,5,5-trifluoropentyl)pyridin-2-amine is sourced from PubChem (CID 102751645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).