2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine

C11H4Cl5FN2 — CID 133089918

IUPAC2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine
SMILESNc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cnc1F
InChIInChI=1S/C11H4Cl5FN2/c12-6-5(3-1-4(18)11(17)19-2-3)7(13)9(15)10(16)8(6)14/h1-2H,18H2
InChIKeyIJDYCYRJVBFXIB-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.74
Rot. Bonds1

About 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine

2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine (PubChem CID 133089918) has the molecular formula C11H4Cl5FN2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine
PubChem CID133089918
Molecular FormulaC11H4Cl5FN2
Molecular Weight360.43 g/mol
Exact Mass357.88
IUPAC Name2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine
SMILESNc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cnc1F
InChIInChI=1S/C11H4Cl5FN2/c12-6-5(3-1-4(18)11(17)19-2-3)7(13)9(15)10(16)8(6)14/h1-2H,18H2
InChIKeyIJDYCYRJVBFXIB-UHFFFAOYSA-N
XLogP5.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine?
The IUPAC name of 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine (CID 133089918) is 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine.
What is the SMILES notation for 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine?
The canonical SMILES for 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine is Nc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cnc1F.
What is the InChIKey of 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine?
The InChIKey is IJDYCYRJVBFXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl5FN2/c12-6-5(3-1-4(18)11(17)19-2-3)7(13)9(15)10(16)8(6)14/h1-2H,18H2.
What are the key properties of 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine?
2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine has a molecular weight of 360.43 g/mol, XLogP of 5.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine is sourced from PubChem (CID 133089918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).