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

C11H7Cl3FN3 — CID 83076459

IUPAC6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H7Cl3FN3/c12-6-3-5(15)4-7(13)10(6)18-11-8(16)1-2-9(14)17-11/h1-4H,16H2,(H,17,18)
InChIKeyMYLMIZJVJRUZSJ-UHFFFAOYSA-N
MW306.56 g/mol
LogP4.51
Rot. Bonds2

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

6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine (PubChem CID 83076459) has the molecular formula C11H7Cl3FN3 and a molecular weight of 306.56 g/mol. Its IUPAC name is 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine
PubChem CID83076459
Molecular FormulaC11H7Cl3FN3
Molecular Weight306.56 g/mol
Exact Mass304.97
IUPAC Name6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H7Cl3FN3/c12-6-3-5(15)4-7(13)10(6)18-11-8(16)1-2-9(14)17-11/h1-4H,16H2,(H,17,18)
InChIKeyMYLMIZJVJRUZSJ-UHFFFAOYSA-N
XLogP4.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine (CID 83076459) is 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine?
The InChIKey is MYLMIZJVJRUZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3FN3/c12-6-3-5(15)4-7(13)10(6)18-11-8(16)1-2-9(14)17-11/h1-4H,16H2,(H,17,18).
What are the key properties of 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine?
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine has a molecular weight of 306.56 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 83076459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).