ethane;3,4,6-trifluoro-N-methylpyridin-2-amine

C8H11F3N2 — CID 144934815

IUPACethane;3,4,6-trifluoro-N-methylpyridin-2-amine
SMILESCC.CNc1nc(F)cc(F)c1F
InChIInChI=1S/C6H5F3N2.C2H6/c1-10-6-5(9)3(7)2-4(8)11-6;1-2/h2H,1H3,(H,10,11);1-2H3
InChIKeyAWKYODNEOPAIGK-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.57
Rot. Bonds1

About ethane;3,4,6-trifluoro-N-methylpyridin-2-amine

ethane;3,4,6-trifluoro-N-methylpyridin-2-amine (PubChem CID 144934815) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is ethane;3,4,6-trifluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Nameethane;3,4,6-trifluoro-N-methylpyridin-2-amine
PubChem CID144934815
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Nameethane;3,4,6-trifluoro-N-methylpyridin-2-amine
SMILESCC.CNc1nc(F)cc(F)c1F
InChIInChI=1S/C6H5F3N2.C2H6/c1-10-6-5(9)3(7)2-4(8)11-6;1-2/h2H,1H3,(H,10,11);1-2H3
InChIKeyAWKYODNEOPAIGK-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3,4,6-trifluoro-N-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,6-trifluoro-N-methylpyridin-2-amine?
The IUPAC name of ethane;3,4,6-trifluoro-N-methylpyridin-2-amine (CID 144934815) is ethane;3,4,6-trifluoro-N-methylpyridin-2-amine.
What is the SMILES notation for ethane;3,4,6-trifluoro-N-methylpyridin-2-amine?
The canonical SMILES for ethane;3,4,6-trifluoro-N-methylpyridin-2-amine is CC.CNc1nc(F)cc(F)c1F.
What is the InChIKey of ethane;3,4,6-trifluoro-N-methylpyridin-2-amine?
The InChIKey is AWKYODNEOPAIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2.C2H6/c1-10-6-5(9)3(7)2-4(8)11-6;1-2/h2H,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;3,4,6-trifluoro-N-methylpyridin-2-amine?
ethane;3,4,6-trifluoro-N-methylpyridin-2-amine has a molecular weight of 192.18 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,6-trifluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 144934815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).