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

C12H8Cl3FN2 — CID 102750249

IUPAC3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccccc1CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3FN2/c13-8-5-9(14)12(18-11(8)15)17-6-7-3-1-2-4-10(7)16/h1-5H,6H2,(H,17,18)
InChIKeyZPBYSJLPPBVHRZ-UHFFFAOYSA-N
MW305.57 g/mol
LogP4.79
Rot. Bonds3

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

3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 102750249) has the molecular formula C12H8Cl3FN2 and a molecular weight of 305.57 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine
PubChem CID102750249
Molecular FormulaC12H8Cl3FN2
Molecular Weight305.57 g/mol
Exact Mass303.97
IUPAC Name3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccccc1CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3FN2/c13-8-5-9(14)12(18-11(8)15)17-6-7-3-1-2-4-10(7)16/h1-5H,6H2,(H,17,18)
InChIKeyZPBYSJLPPBVHRZ-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.57
LogP ≤ 54.79
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-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine (CID 102750249) is 3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine is Fc1ccccc1CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is ZPBYSJLPPBVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FN2/c13-8-5-9(14)12(18-11(8)15)17-6-7-3-1-2-4-10(7)16/h1-5H,6H2,(H,17,18).
What are the key properties of 3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-[(2-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 305.57 g/mol, XLogP of 4.79, 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-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 102750249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).