3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine

C13H10Cl3FN2 — CID 102750685

IUPAC3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1nc(Cl)c(Cl)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H10Cl3FN2/c1-7(8-3-2-4-9(17)5-8)18-13-11(15)6-10(14)12(16)19-13/h2-7H,1H3,(H,18,19)
InChIKeyPOKPMSCOKPPEDS-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.35
Rot. Bonds3

About 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine

3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 102750685) has the molecular formula C13H10Cl3FN2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID102750685
Molecular FormulaC13H10Cl3FN2
Molecular Weight319.59 g/mol
Exact Mass317.99
IUPAC Name3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1nc(Cl)c(Cl)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H10Cl3FN2/c1-7(8-3-2-4-9(17)5-8)18-13-11(15)6-10(14)12(16)19-13/h2-7H,1H3,(H,18,19)
InChIKeyPOKPMSCOKPPEDS-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.35
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-[1-(3-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine (CID 102750685) is 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine is CC(Nc1nc(Cl)c(Cl)cc1Cl)c1cccc(F)c1.
What is the InChIKey of 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is POKPMSCOKPPEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3FN2/c1-7(8-3-2-4-9(17)5-8)18-13-11(15)6-10(14)12(16)19-13/h2-7H,1H3,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine?
3,5,6-trichloro-N-[1-(3-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 319.59 g/mol, XLogP of 5.35, 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-[1-(3-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 102750685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).