6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C13H16ClF3N2O — CID 102716117

IUPAC6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2cc(C(F)(F)F)cc(Cl)n2)CCO1
InChIInChI=1S/C13H16ClF3N2O/c1-12(2)7-9(3-4-20-12)18-11-6-8(13(15,16)17)5-10(14)19-11/h5-6,9H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQKIAADKIUSBKNF-UHFFFAOYSA-N
MW308.73 g/mol
LogP4.12
Rot. Bonds2

About 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716117) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716117
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2cc(C(F)(F)F)cc(Cl)n2)CCO1
InChIInChI=1S/C13H16ClF3N2O/c1-12(2)7-9(3-4-20-12)18-11-6-8(13(15,16)17)5-10(14)19-11/h5-6,9H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQKIAADKIUSBKNF-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
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-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716117) is 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CC1(C)CC(Nc2cc(C(F)(F)F)cc(Cl)n2)CCO1.
What is the InChIKey of 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QKIAADKIUSBKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-12(2)7-9(3-4-20-12)18-11-6-8(13(15,16)17)5-10(14)19-11/h5-6,9H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 308.73 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).