6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine

C12H9ClF3N3O — CID 88909842

IUPAC6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O/c13-10-5-4-9(17)11(19-10)18-7-2-1-3-8(6-7)20-12(14,15)16/h1-6H,17H2,(H,18,19)
InChIKeyOUWIOBAVTLBQNP-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.96
Rot. Bonds3

About 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine

6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine (PubChem CID 88909842) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
PubChem CID88909842
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Name6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O/c13-10-5-4-9(17)11(19-10)18-7-2-1-3-8(6-7)20-12(14,15)16/h1-6H,17H2,(H,18,19)
InChIKeyOUWIOBAVTLBQNP-UHFFFAOYSA-N
XLogP3.96
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine (CID 88909842) is 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine is Nc1ccc(Cl)nc1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The InChIKey is OUWIOBAVTLBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c13-10-5-4-9(17)11(19-10)18-7-2-1-3-8(6-7)20-12(14,15)16/h1-6H,17H2,(H,18,19).
What are the key properties of 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine has a molecular weight of 303.67 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 88909842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).