3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine

C12H18F3N3O2 — CID 28818239

IUPAC3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOCCN(CCOC)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C12H18F3N3O2/c1-19-5-3-18(4-6-20-2)10-7-9(12(13,14)15)8-17-11(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyOLTQZCCPTUBVQJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.78
Rot. Bonds7

About 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine

3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 28818239) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID28818239
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOCCN(CCOC)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C12H18F3N3O2/c1-19-5-3-18(4-6-20-2)10-7-9(12(13,14)15)8-17-11(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyOLTQZCCPTUBVQJ-UHFFFAOYSA-N
XLogP1.78
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 28818239) is 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine is COCCN(CCOC)c1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is OLTQZCCPTUBVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-19-5-3-18(4-6-20-2)10-7-9(12(13,14)15)8-17-11(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 293.29 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 28818239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).