3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine

C11H8Cl2FN3 — CID 102755142

IUPAC3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine
SMILESNc1nc(Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c12-8-5-9(13)11(17-10(8)15)16-7-3-1-6(14)2-4-7/h1-5H,(H3,15,16,17)
InChIKeyXUEGJQSRPVDFMO-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.85
Rot. Bonds2

About 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine

3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine (PubChem CID 102755142) has the molecular formula C11H8Cl2FN3 and a molecular weight of 272.11 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine
PubChem CID102755142
Molecular FormulaC11H8Cl2FN3
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine
SMILESNc1nc(Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c12-8-5-9(13)11(17-10(8)15)16-7-3-1-6(14)2-4-7/h1-5H,(H3,15,16,17)
InChIKeyXUEGJQSRPVDFMO-UHFFFAOYSA-N
XLogP3.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine (CID 102755142) is 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine is Nc1nc(Nc2ccc(F)cc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine?
The InChIKey is XUEGJQSRPVDFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3/c12-8-5-9(13)11(17-10(8)15)16-7-3-1-6(14)2-4-7/h1-5H,(H3,15,16,17).
What are the key properties of 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine has a molecular weight of 272.11 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).