6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C8H8ClF3N2 — CID 63586527

IUPAC6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCN(CC(F)(F)F)c1cccc(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-14(5-8(10,11)12)7-4-2-3-6(9)13-7/h2-4H,5H2,1H3
InChIKeyYFBILWHWDLTJMX-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.73
Rot. Bonds2

About 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 63586527) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID63586527
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCN(CC(F)(F)F)c1cccc(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-14(5-8(10,11)12)7-4-2-3-6(9)13-7/h2-4H,5H2,1H3
InChIKeyYFBILWHWDLTJMX-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 63586527) is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CN(CC(F)(F)F)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is YFBILWHWDLTJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-14(5-8(10,11)12)7-4-2-3-6(9)13-7/h2-4H,5H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 224.61 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 63586527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).