6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C14H10ClF9N6 — CID 123884185

IUPAC6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NC(C(F)(F)F)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F
InChIInChI=1S/C14H10ClF9N6/c1-5(12(16,17)18)25-10-27-8(6-3-2-4-7(15)26-6)28-11(30-10)29-9(13(19,20)21)14(22,23)24/h2-5,9H,1H3,(H2,25,27,28,29,30)
InChIKeyVTJODCQTJUKOPV-UHFFFAOYSA-N
MW468.71 g/mol
LogP4.85
Rot. Bonds5

About 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 123884185) has the molecular formula C14H10ClF9N6 and a molecular weight of 468.71 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID123884185
Molecular FormulaC14H10ClF9N6
Molecular Weight468.71 g/mol
Exact Mass468.05
IUPAC Name6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NC(C(F)(F)F)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F
InChIInChI=1S/C14H10ClF9N6/c1-5(12(16,17)18)25-10-27-8(6-3-2-4-7(15)26-6)28-11(30-10)29-9(13(19,20)21)14(22,23)24/h2-5,9H,1H3,(H2,25,27,28,29,30)
InChIKeyVTJODCQTJUKOPV-UHFFFAOYSA-N
XLogP4.85
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.71
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 123884185) is 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NC(C(F)(F)F)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.
What is the InChIKey of 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VTJODCQTJUKOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF9N6/c1-5(12(16,17)18)25-10-27-8(6-3-2-4-7(15)26-6)28-11(30-10)29-9(13(19,20)21)14(22,23)24/h2-5,9H,1H3,(H2,25,27,28,29,30).
What are the key properties of 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 468.71 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 123884185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).