3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine

C12H5Cl3F4N2 — CID 102750491

IUPAC3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F4N2/c13-7-4-8(14)11(21-10(7)15)20-5-1-2-9(16)6(3-5)12(17,18)19/h1-4H,(H,20,21)
InChIKeyUYRADQJSILTQHG-UHFFFAOYSA-N
MW359.54 g/mol
LogP5.94
Rot. Bonds2

About 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine

3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 102750491) has the molecular formula C12H5Cl3F4N2 and a molecular weight of 359.54 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID102750491
Molecular FormulaC12H5Cl3F4N2
Molecular Weight359.54 g/mol
Exact Mass357.95
IUPAC Name3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F4N2/c13-7-4-8(14)11(21-10(7)15)20-5-1-2-9(16)6(3-5)12(17,18)19/h1-4H,(H,20,21)
InChIKeyUYRADQJSILTQHG-UHFFFAOYSA-N
XLogP5.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.54
LogP ≤ 55.94
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-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 102750491) is 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine is Fc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is UYRADQJSILTQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F4N2/c13-7-4-8(14)11(21-10(7)15)20-5-1-2-9(16)6(3-5)12(17,18)19/h1-4H,(H,20,21).
What are the key properties of 3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 359.54 g/mol, XLogP of 5.94, 2 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-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 102750491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).