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

C7H5Cl3F2N2 — CID 102751640

IUPAC3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine
SMILESFC(F)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3F2N2/c8-3-1-4(9)7(14-6(3)10)13-2-5(11)12/h1,5H,2H2,(H,13,14)
InChIKeyKHSLGWBLKHNDQN-UHFFFAOYSA-N
MW261.49 g/mol
LogP3.72
Rot. Bonds3

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

3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine (PubChem CID 102751640) has the molecular formula C7H5Cl3F2N2 and a molecular weight of 261.49 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine
PubChem CID102751640
Molecular FormulaC7H5Cl3F2N2
Molecular Weight261.49 g/mol
Exact Mass259.95
IUPAC Name3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine
SMILESFC(F)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3F2N2/c8-3-1-4(9)7(14-6(3)10)13-2-5(11)12/h1,5H,2H2,(H,13,14)
InChIKeyKHSLGWBLKHNDQN-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.49
LogP ≤ 53.72
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-(2,2-difluoroethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine (CID 102751640) is 3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine is FC(F)CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine?
The InChIKey is KHSLGWBLKHNDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3F2N2/c8-3-1-4(9)7(14-6(3)10)13-2-5(11)12/h1,5H,2H2,(H,13,14).
What are the key properties of 3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine?
3,5,6-trichloro-N-(2,2-difluoroethyl)pyridin-2-amine has a molecular weight of 261.49 g/mol, XLogP of 3.72, 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-(2,2-difluoroethyl)pyridin-2-amine is sourced from PubChem (CID 102751640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).