6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C11H12ClF3N2O — CID 102715464

IUPAC6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(NCC2CCCO2)c1
InChIInChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-10(17-9)16-6-8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,16,17)
InChIKeyUCRIMLHNSFNZQE-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.34
Rot. Bonds3

About 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715464) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715464
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(NCC2CCCO2)c1
InChIInChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-10(17-9)16-6-8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,16,17)
InChIKeyUCRIMLHNSFNZQE-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.34
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-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715464) is 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Cl)nc(NCC2CCCO2)c1.
What is the InChIKey of 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UCRIMLHNSFNZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-10(17-9)16-6-8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,16,17).
What are the key properties of 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.68 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).