4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C7H8F3N3 — CID 104866692

IUPAC4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C7H8F3N3/c1-12-5-2-6(7(8,9)10)13-3-4(5)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyITBDAZSILRHQQM-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.72
Rot. Bonds1

About 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 104866692) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID104866692
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C7H8F3N3/c1-12-5-2-6(7(8,9)10)13-3-4(5)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyITBDAZSILRHQQM-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 104866692) is 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is CNc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is ITBDAZSILRHQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-12-5-2-6(7(8,9)10)13-3-4(5)11/h2-3H,11H2,1H3,(H,12,13).
What are the key properties of 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 191.16 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 104866692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).